Xu, Zhiqian; Fan, Yi; Guo, Chu; Shang, Honghui MPS-VQE: a variational quantum computational chemistry simulator with matrix product states. (English) Zbl 07763753 Comput. Phys. Commun. 294, Article ID 108897, 9 p. (2024). MSC: 81-XX 68-XX PDF BibTeX XML Cite \textit{Z. Xu} et al., Comput. Phys. Commun. 294, Article ID 108897, 9 p. (2024; Zbl 07763753) Full Text: DOI
Badreddine, Siwar; Chollet, Igor; Grigori, Laura Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry. (English) Zbl 07748046 J. Comput. Phys. 493, Article ID 112460, 29 p. (2023). MSC: 65Fxx 65Dxx 15Axx PDF BibTeX XML Cite \textit{S. Badreddine} et al., J. Comput. Phys. 493, Article ID 112460, 29 p. (2023; Zbl 07748046) Full Text: DOI arXiv
Gharibian, Sevag; Le Gall, François Dequantizing the quantum singular value transformation: hardness and applications to quantum chemistry and the quantum PCP conjecture. (English) Zbl 1520.68041 SIAM J. Comput. 52, No. 4, 1009-1038 (2023). MSC: 68Q12 68Q17 81P68 81V55 PDF BibTeX XML Cite \textit{S. Gharibian} and \textit{F. Le Gall}, SIAM J. Comput. 52, No. 4, 1009--1038 (2023; Zbl 1520.68041) Full Text: DOI arXiv
Vivas-Reyes, Ricardo; Martínez-Santiago, Oscar; Marrero-Ponce, Yovani Graph derivative indices interpretation from the quantum mechanics perspective. (English) Zbl 07724031 J. Math. Chem. 61, No. 8, 1739-1757 (2023). MSC: 82Bxx 92Exx 94Axx PDF BibTeX XML Cite \textit{R. Vivas-Reyes} et al., J. Math. Chem. 61, No. 8, 1739--1757 (2023; Zbl 07724031) Full Text: DOI
Olsen, Richard MolTwister – a molecular systems construction, manipulation and statistical mechanical calculation tool. (English) Zbl 07723493 Comput. Phys. Commun. 291, Article ID 108822, 20 p. (2023). MSC: 81-XX 82-XX PDF BibTeX XML Cite \textit{R. Olsen}, Comput. Phys. Commun. 291, Article ID 108822, 20 p. (2023; Zbl 07723493) Full Text: DOI
Flores-Gallegos, N. Fermi-Dirac entropy as a measure of electron interactions. (English) Zbl 07695655 J. Math. Chem. 61, No. 6, 1453-1461 (2023). MSC: 81R25 81V74 94A17 80A30 35Q92 47A10 78A25 PDF BibTeX XML Cite \textit{N. Flores-Gallegos}, J. Math. Chem. 61, No. 6, 1453--1461 (2023; Zbl 07695655) Full Text: DOI
Ali-Akbari, Mohammad; Lezgi, Mahsa Resource and stability near a critical point from the quantum information perspective. (English) Zbl 07695498 Phys. Lett., B 842, Article ID 137954, 7 p. (2023). MSC: 81T10 35B38 80A10 80A50 81P16 68Q15 81P15 35B33 PDF BibTeX XML Cite \textit{M. Ali-Akbari} and \textit{M. Lezgi}, Phys. Lett., B 842, Article ID 137954, 7 p. (2023; Zbl 07695498) Full Text: DOI arXiv
Csirik, Mihály A.; Laestadius, Andre Coupled-cluster theory revisited. I: Discretization. (English) Zbl 1515.81232 ESAIM, Math. Model. Numer. Anal. 57, No. 2, 645-670 (2023). MSC: 81V55 81-08 81-10 PDF BibTeX XML Cite \textit{M. A. Csirik} and \textit{A. Laestadius}, ESAIM, Math. Model. Numer. Anal. 57, No. 2, 645--670 (2023; Zbl 1515.81232) Full Text: DOI arXiv
Csirik, Mihály A.; Laestadius, Andre Coupled-cluster theory revisited. II: Analysis of the single-reference coupled-cluster equations. (English) Zbl 1515.81231 ESAIM, Math. Model. Numer. Anal. 57, No. 2, 545-583 (2023). MSC: 81V55 81-08 81-10 47H11 PDF BibTeX XML Cite \textit{M. A. Csirik} and \textit{A. Laestadius}, ESAIM, Math. Model. Numer. Anal. 57, No. 2, 545--583 (2023; Zbl 1515.81231) Full Text: DOI arXiv
Crisostomo, Steven; Pederson, Ryan; Kozlowski, John; Kalita, Bhupalee; Cancio, Antonio C.; Datchev, Kiril; Wasserman, Adam; Song, Suhwan; Burke, Kieron Seven useful questions in density functional theory. (English) Zbl 07680388 Lett. Math. Phys. 113, No. 2, Paper No. 42, 39 p. (2023). MSC: 82M36 81-XX PDF BibTeX XML Cite \textit{S. Crisostomo} et al., Lett. Math. Phys. 113, No. 2, Paper No. 42, 39 p. (2023; Zbl 07680388) Full Text: DOI arXiv
Wreszinski, Walter F. The second law of thermodynamics as a deterministic theorem for quantum spin systems. (English) Zbl 07679895 Rev. Math. Phys. 35, No. 1, Article ID 2230005, 27 p. (2023). MSC: 81R25 80A10 80A50 81V55 26A15 94A17 PDF BibTeX XML Cite \textit{W. F. Wreszinski}, Rev. Math. Phys. 35, No. 1, Article ID 2230005, 27 p. (2023; Zbl 07679895) Full Text: DOI arXiv
Lukin, R. Yu.; Grigoriev, R. A. Geometric deep learning for design of catalysts and molecules. (English. Russian original) Zbl 07667552 Dokl. Math. 106, Suppl. 1, S63-S64 (2022); translation from Dokl. Ross. Akad. Nauk, Mat. Inform. Protsessy Upr. 508, 70-72 (2022). MSC: 82C32 62M45 PDF BibTeX XML Cite \textit{R. Yu. Lukin} and \textit{R. A. Grigoriev}, Dokl. Math. 106, S63--S64 (2022; Zbl 07667552); translation from Dokl. Ross. Akad. Nauk, Mat. Inform. Protsessy Upr. 508, 70--72 (2022) Full Text: DOI
Faulstich, Fabian M.; Wu, Xiaojie; Lin, Lin Discontinuous Galerkin method with Voronoi partitioning for quantum simulation of chemistry. (English) Zbl 1517.81038 Res. Math. Sci. 9, No. 4, Paper No. 68, 30 p. (2022). MSC: 81P68 81V55 05A30 65M60 05C70 74E15 PDF BibTeX XML Cite \textit{F. M. Faulstich} et al., Res. Math. Sci. 9, No. 4, Paper No. 68, 30 p. (2022; Zbl 1517.81038) Full Text: DOI arXiv
Tilly, Jules; Chen, Hongxiang; Cao, Shuxiang; Picozzi, Dario; Setia, Kanav; Li, Ying; Grant, Edward; Wossnig, Leonard; Rungger, Ivan; Booth, George H.; Tennyson, Jonathan The variational quantum eigensolver: a review of methods and best practices. (English) Zbl 1510.81052 Phys. Rep. 986, 1-128 (2022). MSC: 81P68 30C70 81P15 60H40 81V70 82D15 82D20 81-02 PDF BibTeX XML Cite \textit{J. Tilly} et al., Phys. Rep. 986, 1--128 (2022; Zbl 1510.81052) Full Text: DOI arXiv
Quinto, A. G.; Vega Monroy, R.; Ferrari, A. F. Renormalization group improvement of the effective potential in a \((1 + 1)\) dimensional Gross-Neveu model. (English) Zbl 1514.81201 Nucl. Phys., B 984, Article ID 115959, 17 p. (2022). MSC: 81T17 81T12 81R40 81V74 80A50 70H03 81T15 PDF BibTeX XML Cite \textit{A. G. Quinto} et al., Nucl. Phys., B 984, Article ID 115959, 17 p. (2022; Zbl 1514.81201) Full Text: DOI arXiv
Gay-Balmaz, François; Tronci, Cesare Evolution of hybrid quantum-classical wavefunctions. (English) Zbl 1511.81053 Physica D 440, Article ID 133450, 19 p. (2022). MSC: 81Q20 81R20 47A68 81P16 81Q70 35Q92 PDF BibTeX XML Cite \textit{F. Gay-Balmaz} and \textit{C. Tronci}, Physica D 440, Article ID 133450, 19 p. (2022; Zbl 1511.81053) Full Text: DOI arXiv
Flores-Gallegos, N. A possible generalization Shannon’s entropy using \(q\)-calculus. (English) Zbl 1510.81020 J. Math. Chem. 60, No. 9, 1840-1853 (2022). MSC: 81P17 94A17 81V19 80A50 81P68 PDF BibTeX XML Cite \textit{N. Flores-Gallegos}, J. Math. Chem. 60, No. 9, 1840--1853 (2022; Zbl 1510.81020) Full Text: DOI
Lin, Chia-Liang; Simos, T. E. A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. (English) Zbl 1500.81029 J. Math. Chem. 60, No. 8, 1632-1657 (2022). MSC: 81Q05 35B05 65M25 35Q92 PDF BibTeX XML Cite \textit{C.-L. Lin} and \textit{T. E. Simos}, J. Math. Chem. 60, No. 8, 1632--1657 (2022; Zbl 1500.81029) Full Text: DOI
Sun, Bin; Lin, Chia-Liang; Simos, T. E. A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry. (English) Zbl 1500.81031 J. Math. Chem. 60, No. 8, 1480-1504 (2022). MSC: 81Q05 35B05 65L06 35Q92 PDF BibTeX XML Cite \textit{B. Sun} et al., J. Math. Chem. 60, No. 8, 1480--1504 (2022; Zbl 1500.81031) Full Text: DOI
Braida, B.; Dalphin, J.; Dapogny, C.; Frey, P.; Privat, Y. Shape and topology optimization for maximum probability domains in quantum chemistry. (English) Zbl 1497.35400 Numer. Math. 151, No. 4, 1017-1064 (2022). MSC: 35Q40 35Q55 35P20 93B07 58J51 49J45 49K20 49Q10 35A01 35A02 65M50 35R60 PDF BibTeX XML Cite \textit{B. Braida} et al., Numer. Math. 151, No. 4, 1017--1064 (2022; Zbl 1497.35400) Full Text: DOI
Lévay, Péter Special entangled fermionic systems and exceptional symmetries. (English) Zbl 1498.81148 J. Math. Chem. 60, No. 7, 1287-1313 (2022). MSC: 81V74 81P40 35Q92 20G41 22E70 PDF BibTeX XML Cite \textit{P. Lévay}, J. Math. Chem. 60, No. 7, 1287--1313 (2022; Zbl 1498.81148) Full Text: DOI
Lin, Chia-Liang; Simos, T. E. A multistep conditionally P-stable method with phase properties of high order for problems in quantum chemistry. (English) Zbl 1496.81110 J. Math. Chem. 60, No. 4, 637-665 (2022). MSC: 81V55 81Q05 65L05 35Q92 65L06 PDF BibTeX XML Cite \textit{C.-L. Lin} and \textit{T. E. Simos}, J. Math. Chem. 60, No. 4, 637--665 (2022; Zbl 1496.81110) Full Text: DOI
Goto, Yukimi Born-Oppenheimer potential energy surfaces for Kohn-Sham models in the local density approximation. (English) Zbl 1495.81104 Ann. Henri Poincaré 23, No. 5, 1765-1790 (2022). MSC: 81V55 81V45 81V10 35Q92 81Q10 80A50 PDF BibTeX XML Cite \textit{Y. Goto}, Ann. Henri Poincaré 23, No. 5, 1765--1790 (2022; Zbl 1495.81104) Full Text: DOI arXiv
Komech, Alexander Lectures on quantum mechanics and attractors. (English) Zbl 1519.81323 Singapore: World Scientific (ISBN 978-981-12-4889-4/hbk; 978-981-124-891-7/ebook). xix, 252 p. (2022). MSC: 81R20 81U05 35P25 80A50 70H05 35L65 35G20 00A79 81-03 81-01 PDF BibTeX XML Cite \textit{A. Komech}, Lectures on quantum mechanics and attractors. Singapore: World Scientific (2022; Zbl 1519.81323) Full Text: DOI
Chupin, Maxime; Dupuy, Mi-Song; Legendre, Guillaume; Séré, Éric Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations. (English) Zbl 1492.65008 ESAIM, Math. Model. Numer. Anal. 55, No. 6, 2785-2825 (2021). MSC: 65B99 65H10 65Z05 81-08 90C53 PDF BibTeX XML Cite \textit{M. Chupin} et al., ESAIM, Math. Model. Numer. Anal. 55, No. 6, 2785--2825 (2021; Zbl 1492.65008) Full Text: DOI arXiv
Thakkar, Ajit J. Quantum chemistry. A concise introduction for students of physics, chemistry, biochemistry and materials science. 3rd edition. (English) Zbl 1477.81002 Bristol: IOP Publishing (ISBN 978-0-7503-3825-7; 978-0-7503-3827-1/ebook). xv, 165 p., not consecutively paged (2021). MSC: 81-01 81V55 81V45 81V70 81R05 82B30 92E10 81-08 PDF BibTeX XML Cite \textit{A. J. Thakkar}, Quantum chemistry. A concise introduction for students of physics, chemistry, biochemistry and materials science. 3rd edition. Bristol: IOP Publishing (2021; Zbl 1477.81002) Full Text: DOI
Vastola, John J. Solving the chemical master equation for monomolecular reaction systems and beyond: a Doi-Peliti path integral view. (English) Zbl 1475.92080 J. Math. Biol. 83, No. 5, Paper No. 48, 82 p. (2021). MSC: 92C45 60J28 60J85 35Q92 81S40 PDF BibTeX XML Cite \textit{J. J. Vastola}, J. Math. Biol. 83, No. 5, Paper No. 48, 82 p. (2021; Zbl 1475.92080) Full Text: DOI arXiv
Sebens, Charles T. Electron charge density: a clue from quantum chemistry for quantum foundations. (English) Zbl 07422293 Found. Phys. 51, No. 4, Paper No. 75, 39 p. (2021). MSC: 81Pxx 81-XX 00Axx 81Vxx 83Cxx PDF BibTeX XML Cite \textit{C. T. Sebens}, Found. Phys. 51, No. 4, Paper No. 75, 39 p. (2021; Zbl 07422293) Full Text: DOI arXiv Link
Guo, Sen; He, Ke-Jian; Li, Guan-Ru; Li, Guo-Ping The shadow and photon sphere of the charged black hole in Rastall gravity. (English) Zbl 1482.83085 Classical Quantum Gravity 38, No. 16, Article ID 165013, 12 p. (2021). MSC: 83C57 81V80 83C55 83C30 80A50 53Z05 PDF BibTeX XML Cite \textit{S. Guo} et al., Classical Quantum Gravity 38, No. 16, Article ID 165013, 12 p. (2021; Zbl 1482.83085) Full Text: DOI
Solomonik, Edgar; Demmel, James; Hoefler, Torsten Communication lower bounds of bilinear algorithms for symmetric tensor contractions. (English) Zbl 1487.65051 SIAM J. Sci. Comput. 43, No. 5, A3328-A3356 (2021). MSC: 65F99 15A69 65Y05 68Q25 PDF BibTeX XML Cite \textit{E. Solomonik} et al., SIAM J. Sci. Comput. 43, No. 5, A3328--A3356 (2021; Zbl 1487.65051) Full Text: DOI arXiv
Molski, Marcin Minimum-uncertainty coherent states of the hyperbolic and trigonometric Rosen-Morse oscillators. (English) Zbl 1476.81064 J. Math. Chem. 59, No. 9, 2179-2191 (2021). MSC: 81R30 81Q05 81Q60 81V55 80A50 PDF BibTeX XML Cite \textit{M. Molski}, J. Math. Chem. 59, No. 9, 2179--2191 (2021; Zbl 1476.81064) Full Text: DOI
Medvedeva, Marina A.; Simos, T. E. An economical two-step method with optimal phase and stability properties for problems in chemistry. (English) Zbl 1476.81165 J. Math. Chem. 59, No. 8, 1938-1975 (2021). MSC: 81V55 81Q05 65L05 65L06 80A50 PDF BibTeX XML Cite \textit{M. A. Medvedeva} and \textit{T. E. Simos}, J. Math. Chem. 59, No. 8, 1938--1975 (2021; Zbl 1476.81165) Full Text: DOI
Medvedev, Maxim A.; Simos, T. E. Two-step method with vanished phase-lag and its derivatives for problems in quantum chemistry: an economical case. (English) Zbl 1476.81166 J. Math. Chem. 59, No. 8, 1880-1916 (2021). MSC: 81V55 81Q05 65L05 65L06 80A50 PDF BibTeX XML Cite \textit{M. A. Medvedev} and \textit{T. E. Simos}, J. Math. Chem. 59, No. 8, 1880--1916 (2021; Zbl 1476.81166) Full Text: DOI
Cancès, Éric; Kemlin, Gaspard; Levitt, Antoine Convergence analysis of direct minimization and self-consistent iterations. (English) Zbl 1467.65054 SIAM J. Matrix Anal. Appl. 42, No. 1, 243-274 (2021). MSC: 65H17 65K10 PDF BibTeX XML Cite \textit{É. Cancès} et al., SIAM J. Matrix Anal. Appl. 42, No. 1, 243--274 (2021; Zbl 1467.65054) Full Text: DOI arXiv
Dupuy, Mi-Song; Friesecke, Gero Inversion symmetry of singular values and a new orbital ordering method in tensor train approximations for quantum chemistry. (English) Zbl 1462.81145 SIAM J. Sci. Comput. 43, No. 1, B108-B131 (2021). MSC: 81T17 81T16 81T15 15A69 81V70 81Q05 81Q15 40E10 81P55 15A18 81P40 35Q40 81V55 PDF BibTeX XML Cite \textit{M.-S. Dupuy} and \textit{G. Friesecke}, SIAM J. Sci. Comput. 43, No. 1, B108--B131 (2021; Zbl 1462.81145) Full Text: DOI arXiv
Carlen, Eric A. (ed.); Fellner, Klemens (ed.); Gallagher, Isabelle (ed.); Jabin, Pierre-Emmanuel (ed.) Classical and quantum mechanical models of many-particle systems. Abstracts from the workshop held November 29 – December 5, 2020 (online meeting). (English) Zbl 1473.00045 Oberwolfach Rep. 17, No. 4, 1857-1902 (2020). MSC: 00B05 00B25 81-06 82-06 35Q40 35Q92 82C40 82C22 82C70 45K05 82D10 81S30 81S22 PDF BibTeX XML Cite \textit{E. A. Carlen} (ed.) et al., Oberwolfach Rep. 17, No. 4, 1857--1902 (2020; Zbl 1473.00045) Full Text: DOI
Hotta, Shu Mathematical physical chemistry. Practical and intuitive methodology. 2nd edition. (English) Zbl 1508.81002 Singapore: Springer (ISBN 978-981-15-2224-6/hbk; 978-981-15-2227-7/pbk; 978-981-15-2225-3/ebook). xviii, 916 p. (2020). MSC: 81-01 81Pxx 81Qxx 81Rxx 81V55 80A50 26A03 22E15 70E05 70M20 15A16 35A09 78A60 PDF BibTeX XML Cite \textit{S. Hotta}, Mathematical physical chemistry. Practical and intuitive methodology. 2nd edition. Singapore: Springer (2020; Zbl 1508.81002) Full Text: DOI
Archibald, M.; Currie, S.; Nowaczyk, M. Finding the hole in a wall. (English) Zbl 1473.82034 J. Math. Chem. 58, No. 10, 2313-2323 (2020). Reviewer: Rolando Rebolledo Berroeta (Santiago de Chile) MSC: 82D77 47N60 81Q10 PDF BibTeX XML Cite \textit{M. Archibald} et al., J. Math. Chem. 58, No. 10, 2313--2323 (2020; Zbl 1473.82034) Full Text: DOI
Pulvirenti, Mario; Simonella, Sergio A kinetic model for epidemic spread. (English) Zbl 1452.92040 Math. Mech. Complex Syst. 8, No. 3, 249-260 (2020). MSC: 92D30 35Q92 35Q20 91B80 PDF BibTeX XML Cite \textit{M. Pulvirenti} and \textit{S. Simonella}, Math. Mech. Complex Syst. 8, No. 3, 249--260 (2020; Zbl 1452.92040) Full Text: DOI arXiv
Li, Yuting I.; Cates, Michael E. Non-equilibrium phase separation with reactions: a canonical model and its behaviour. (English) Zbl 1457.82213 J. Stat. Mech. Theory Exp. 2020, No. 5, Article ID 053206, 47 p. (2020). MSC: 82C10 92E20 PDF BibTeX XML Cite \textit{Y. I. Li} and \textit{M. E. Cates}, J. Stat. Mech. Theory Exp. 2020, No. 5, Article ID 053206, 47 p. (2020; Zbl 1457.82213) Full Text: DOI arXiv
Chang, Jing; Carbó-Dorca, Ramon Fuzzy hypercubes and their time-like evolution. (English) Zbl 1454.05079 J. Math. Chem. 58, No. 7, 1337-1344 (2020). Reviewer: Weiping Li (Stillwater) MSC: 05C65 62E86 05C90 92E20 PDF BibTeX XML Cite \textit{J. Chang} and \textit{R. Carbó-Dorca}, J. Math. Chem. 58, No. 7, 1337--1344 (2020; Zbl 1454.05079) Full Text: DOI
Moreva, Ekaterina The biosensing with NV centers in diamond: related challenges. (English) Zbl 1444.92056 Int. J. Quantum Inf. 18, No. 1, Article ID 1941023, 12 p. (2020). MSC: 92C55 92E99 81V10 81V60 PDF BibTeX XML Cite \textit{E. Moreva}, Int. J. Quantum Inf. 18, No. 1, Article ID 1941023, 12 p. (2020; Zbl 1444.92056) Full Text: DOI
Bayer, Manfred Bridging two worlds: colloidal versus epitaxial quantum dots. (English) Zbl 07759776 Ann. Phys., Berlin 531, No. 6, Article ID 1900039, 25 p. (2019). MSC: 81-XX PDF BibTeX XML Cite \textit{M. Bayer}, Ann. Phys., Berlin 531, No. 6, Article ID 1900039, 25 p. (2019; Zbl 07759776) Full Text: DOI
Jacobse, Peter H. MathemaTB: a Mathematica package for tight-binding calculations. (English) Zbl 07674857 Comput. Phys. Commun. 244, 392-408 (2019). MSC: 81-XX 82-XX PDF BibTeX XML Cite \textit{P. H. Jacobse}, Comput. Phys. Commun. 244, 392--408 (2019; Zbl 07674857) Full Text: DOI
Chmiela, Stefan; Sauceda, Huziel E.; Poltavsky, Igor; Müller, Klaus-Robert; Tkatchenko, Alexandre sGDML: constructing accurate and data efficient molecular force fields using machine learning. (English) Zbl 07674760 Comput. Phys. Commun. 240, 38-45 (2019). MSC: 74-XX 81-XX PDF BibTeX XML Cite \textit{S. Chmiela} et al., Comput. Phys. Commun. 240, 38--45 (2019; Zbl 07674760) Full Text: DOI arXiv
Georgiev, Danko D.; Glazebrook, James F. On the quantum dynamics of Davydov solitons in protein \(\alpha\)-helices. (English) Zbl 1514.92075 Physica A 517, 257-269 (2019). MSC: 92D20 35Q92 PDF BibTeX XML Cite \textit{D. D. Georgiev} and \textit{J. F. Glazebrook}, Physica A 517, 257--269 (2019; Zbl 1514.92075) Full Text: DOI arXiv
Mckemmish, Laura K.; Tennyson, Jonathan General mathematical formulation of scattering processes in atom-diatomic collisions in the RmatReact methodology. (English) Zbl 1462.92061 Philos. Trans. R. Soc. Lond., A, Math. Phys. Eng. Sci. 377, No. 2154, Article ID 20180409, 20 p. (2019). MSC: 92E20 PDF BibTeX XML Cite \textit{L. K. Mckemmish} and \textit{J. Tennyson}, Philos. Trans. R. Soc. Lond., A, Math. Phys. Eng. Sci. 377, No. 2154, Article ID 20180409, 20 p. (2019; Zbl 1462.92061) Full Text: DOI arXiv
Holiday, Alexander; Kooshkbaghi, Mahdi; Bello-Rivas, Juan M.; Gear, C. William; Zagaris, Antonios; Kevrekidis, Ioannis G. Manifold learning for parameter reduction. (English) Zbl 1452.37090 J. Comput. Phys. 392, 419-431 (2019). MSC: 37N20 92E20 68T05 PDF BibTeX XML Cite \textit{A. Holiday} et al., J. Comput. Phys. 392, 419--431 (2019; Zbl 1452.37090) Full Text: DOI arXiv Link
Zhang, Xunying; Simos, T. E. A multiple stage absolute in phase scheme for chemistry problems. (English) Zbl 1426.81059 J. Math. Chem. 57, No. 9, 2049-2074 (2019). MSC: 81V55 81Q05 47N60 65L05 PDF BibTeX XML Cite \textit{X. Zhang} and \textit{T. E. Simos}, J. Math. Chem. 57, No. 9, 2049--2074 (2019; Zbl 1426.81059) Full Text: DOI
Qiu, Junlai; Huang, Junjie; Simos, T. E. A perfect in phase FD algorithm for problems in quantum chemistry. (English) Zbl 1426.81058 J. Math. Chem. 57, No. 9, 2019-2048 (2019). MSC: 81V55 81Q05 47N60 65L05 PDF BibTeX XML Cite \textit{J. Qiu} et al., J. Math. Chem. 57, No. 9, 2019--2048 (2019; Zbl 1426.81058) Full Text: DOI
Lin, Lin Numerical methods for Hartree-Fock-like equations. (Chinese. English summary) Zbl 1438.65332 Math. Numer. Sin. 41, No. 2, 113-125 (2019). MSC: 65R20 65R15 65Z05 PDF BibTeX XML Cite \textit{L. Lin}, Math. Numer. Sin. 41, No. 2, 113--125 (2019; Zbl 1438.65332)
Yao, Cui-Xia; Xia, Qi-Ying Coriolis coupling effects in the dynamics of the \(\mathrm D(^2\mathrm S)\ +\mathrm{NH}(\mathrm{X}^3{\Sigma}^-) \rightarrow \mathrm{N}(^4\mathrm{S})\ + \mathrm{HD}(\mathrm{X}^1\Sigma_g^+)\) reaction and its kinetic isotope effect. (English) Zbl 1414.92242 J. Math. Chem. 57, No. 2, 465-472 (2019). MSC: 92E20 81Q05 PDF BibTeX XML Cite \textit{C.-X. Yao} and \textit{Q.-Y. Xia}, J. Math. Chem. 57, No. 2, 465--472 (2019; Zbl 1414.92242) Full Text: DOI
Liberti, Leo; Lavor, Carlile; Maculan, Nelson A mathematical programming formulation for the Hartree-Fock problem on open-shell systems. (English) Zbl 1428.90161 Optim. Lett. 13, No. 2, 429-437 (2019). MSC: 90C30 90C90 PDF BibTeX XML Cite \textit{L. Liberti} et al., Optim. Lett. 13, No. 2, 429--437 (2019; Zbl 1428.90161) Full Text: DOI
Choi, Young-Pil The global Cauchy problem for compressible Euler equations with a nonlocal dissipation. (English) Zbl 1414.35155 Math. Models Methods Appl. Sci. 29, No. 1, 185-207 (2019). MSC: 35Q31 35A01 35A09 35B40 35Q92 35A02 35D35 81V70 35B44 35B65 76N10 92C15 PDF BibTeX XML Cite \textit{Y.-P. Choi}, Math. Models Methods Appl. Sci. 29, No. 1, 185--207 (2019; Zbl 1414.35155) Full Text: DOI arXiv
Dawson, William; Nakajima, Takahito Massively parallel sparse matrix function calculations with NTPoly. (English) Zbl 07694778 Comput. Phys. Commun. 225, 154-165 (2018). MSC: 65F50 PDF BibTeX XML Cite \textit{W. Dawson} and \textit{T. Nakajima}, Comput. Phys. Commun. 225, 154--165 (2018; Zbl 07694778) Full Text: DOI
Rai, P.; Sargsyan, K.; Najm, H. Compressed sparse tensor based quadrature for vibrational quantum mechanics integrals. (English) Zbl 1440.94016 Comput. Methods Appl. Mech. Eng. 336, 471-484 (2018). MSC: 94A12 65D30 PDF BibTeX XML Cite \textit{P. Rai} et al., Comput. Methods Appl. Mech. Eng. 336, 471--484 (2018; Zbl 1440.94016) Full Text: DOI Link
Mitome, Yuta; Iriyama, Satoshi; Sato, Keiko; Volivich, Igor V. Efficient energy transfer in network model of photosynthesis. (English) Zbl 1404.92123 Khrennikov, Andrei (ed.) et al., Quantum foundations, probability and information. Cham: Springer (ISBN 978-3-319-74970-9/hbk; 978-3-319-74971-6/ebook). STEAM-H: Science, Technology, Engineering, Agriculture, Mathematics & Health, 59-69 (2018). MSC: 92C80 92C40 80A50 92D20 81P45 PDF BibTeX XML Cite \textit{Y. Mitome} et al., in: Quantum foundations, probability and information. Cham: Springer. 59--69 (2018; Zbl 1404.92123) Full Text: DOI
Langhoff, P. W.; Mills, J. D.; Boatz, J. A. Atomic-pair theorem for universal matrix representatives of molecules and atomic clusters in non-relativistic Born-Oppenheimer approximation. (English) Zbl 1394.81178 J. Math. Phys. 59, No. 7, 072105, 17 p. (2018). MSC: 81V55 81V45 81Q20 81Q05 80A50 PDF BibTeX XML Cite \textit{P. W. Langhoff} et al., J. Math. Phys. 59, No. 7, 072105, 17 p. (2018; Zbl 1394.81178) Full Text: DOI
Annabestani, Razieh; Cory, David G. Dipolar relaxation mechanism of long-lived states of methyl groups. (English) Zbl 1395.81081 Quantum Inf. Process. 17, No. 1, Paper No. 15, 25 p. (2018). MSC: 81P68 68P20 82B20 81V55 80A50 PDF BibTeX XML Cite \textit{R. Annabestani} and \textit{D. G. Cory}, Quantum Inf. Process. 17, No. 1, Paper No. 15, 25 p. (2018; Zbl 1395.81081) Full Text: DOI arXiv
Boumali, Abdelmalek The statistical properties of q-deformed Morse potential for some diatomic molecules via Euler-Maclaurin method in one dimension. (English) Zbl 1393.81036 J. Math. Chem. 56, No. 6, 1656-1666 (2018). MSC: 81V55 81R50 70J10 80A50 82B27 PDF BibTeX XML Cite \textit{A. Boumali}, J. Math. Chem. 56, No. 6, 1656--1666 (2018; Zbl 1393.81036) Full Text: DOI arXiv
Perez, Thomas; Cassam-Chenaï, Patrick Generalization of the concepts of seniority number and ionicity. (English) Zbl 1390.92179 J. Math. Chem. 56, No. 5, 1428-1436 (2018). MSC: 92E99 81Q05 PDF BibTeX XML Cite \textit{T. Perez} and \textit{P. Cassam-Chenaï}, J. Math. Chem. 56, No. 5, 1428--1436 (2018; Zbl 1390.92179) Full Text: DOI arXiv
Shapovalov, A. V.; Trifonov, A. Yu. An application of the Maslov complex germ method to the one-dimensional nonlocal Fisher-KPP equation. (English) Zbl 1458.35432 Int. J. Geom. Methods Mod. Phys. 15, No. 6, Article ID 1850102, 30 p. (2018). MSC: 35Q92 35B36 81Q20 76M60 35B06 92D25 35K58 PDF BibTeX XML Cite \textit{A. V. Shapovalov} and \textit{A. Yu. Trifonov}, Int. J. Geom. Methods Mod. Phys. 15, No. 6, Article ID 1850102, 30 p. (2018; Zbl 1458.35432) Full Text: DOI arXiv
Laestadius, Andre; Kvaal, Simen Analysis of the extended coupled-cluster method in quantum chemistry. (English) Zbl 1397.81009 SIAM J. Numer. Anal. 56, No. 2, 660-683 (2018). MSC: 81-08 81V55 65J05 PDF BibTeX XML Cite \textit{A. Laestadius} and \textit{S. Kvaal}, SIAM J. Numer. Anal. 56, No. 2, 660--683 (2018; Zbl 1397.81009) Full Text: DOI arXiv
Hotta, Shu Mathematical physical chemistry. Practical and intuitive methodology. (English) Zbl 1411.81002 Singapore: Springer (ISBN 978-981-10-7670-1/hbk; 978-981-10-7671-8/ebook). xv, 627 p. (2018). Reviewer: Eugene Kryachko (Kyiv) MSC: 81-01 81Pxx 81Qxx 81Rxx 81V55 80A50 PDF BibTeX XML Cite \textit{S. Hotta}, Mathematical physical chemistry. Practical and intuitive methodology. Singapore: Springer (2018; Zbl 1411.81002) Full Text: DOI
Zárate-Navarro, Marco A.; García-Sandoval, J. Paulo; Dochain, Denis; Hudon, Nicolas Effect of mesoscopic conservative phenomena in the dynamics of chemical reactions at the macroscopic scale. (English) Zbl 1499.80011 Physica A 486, 79-91 (2017). MSC: 80A30 92E20 82C10 PDF BibTeX XML Cite \textit{M. A. Zárate-Navarro} et al., Physica A 486, 79--91 (2017; Zbl 1499.80011) Full Text: DOI
Adzhiev, S. Z.; Melikhov, I. V.; Vedenyapin, V. V. The \(H\)-theorem for the physico-chemical kinetic equations with discrete time and for their generalizations. (English) Zbl 1495.92116 Physica A 480, 39-50 (2017). MSC: 92E20 82C40 80A30 PDF BibTeX XML Cite \textit{S. Z. Adzhiev} et al., Physica A 480, 39--50 (2017; Zbl 1495.92116) Full Text: DOI
Arnold, Anton (ed.); Carlen, Eric A. (ed.); Desvillettes, Laurent (ed.) Classical and quantum mechanical models of many-particle systems. Abstracts from the workshop held December 3–9, 2017. (English) Zbl 1409.00062 Oberwolfach Rep. 14, No. 4, 3345-3425 (2017). MSC: 00B05 00B25 76P05 35Q40 35Q92 82C40 82C22 35K65 82C70 45K05 82D10 81S30 81S22 35-06 35Q20 35Q83 82C10 PDF BibTeX XML Cite \textit{A. Arnold} (ed.) et al., Oberwolfach Rep. 14, No. 4, 3345--3425 (2017; Zbl 1409.00062) Full Text: DOI
Benamou, Jean-David (ed.); Ehrlacher, Virginie (ed.); Matthes, Daniel (ed.) Applications of optimal transportation in the natural sciences. Abstracts from the workshop held January 29 – February 4, 2017. (English) Zbl 1390.00069 Oberwolfach Rep. 14, No. 1, 339-416 (2017). MSC: 00B05 00B25 35-06 81-06 92-06 35Q35 35K57 35Q92 81S22 92B05 PDF BibTeX XML Cite \textit{J.-D. Benamou} (ed.) et al., Oberwolfach Rep. 14, No. 1, 339--416 (2017; Zbl 1390.00069) Full Text: DOI
Ageev, D. S.; Aref’eva, I. Ya. Waking and scrambling in holographic heating up. (English. Russian original) Zbl 1387.81294 Theor. Math. Phys. 193, No. 1, 1534-1546 (2017); translation from Teor. Mat. Fiz. 193, No. 1, 146-161 (2017). MSC: 81T40 81T20 83F05 81P40 80A50 94A17 PDF BibTeX XML Cite \textit{D. S. Ageev} and \textit{I. Ya. Aref'eva}, Theor. Math. Phys. 193, No. 1, 1534--1546 (2017; Zbl 1387.81294); translation from Teor. Mat. Fiz. 193, No. 1, 146--161 (2017) Full Text: DOI arXiv
Cedillo, Andrés Comment on “Localization-delocalization phenomena in a cyclic box”. (English) Zbl 1380.92105 J. Math. Chem. 55, No. 10, 1889-1892 (2017). MSC: 92E99 81V55 94A17 PDF BibTeX XML Cite \textit{A. Cedillo}, J. Math. Chem. 55, No. 10, 1889--1892 (2017; Zbl 1380.92105) Full Text: DOI
Dillon, Joseph On the origins of intersecting potential energy surfaces. (English) Zbl 1372.92123 J. Math. Chem. 55, No. 8, 1548-1588 (2017). MSC: 92E20 PDF BibTeX XML Cite \textit{J. Dillon}, J. Math. Chem. 55, No. 8, 1548--1588 (2017; Zbl 1372.92123) Full Text: DOI
Scherer, Philipp O. J.; Fischer, Sighart F. Theoretical molecular biophysics. 2nd edition. (English) Zbl 1395.92001 Biological and Medical Physics, Biomedical Engineering. Berlin: Springer (ISBN 978-3-662-55670-2/hbk; 978-3-662-55671-9/ebook). xvi, 513 p. (2017). Reviewer: Eugene Kryachko (Liège) MSC: 92-01 92C05 92E10 81-01 81V55 92E20 92D20 PDF BibTeX XML Cite \textit{P. O. J. Scherer} and \textit{S. F. Fischer}, Theoretical molecular biophysics. 2nd edition. Berlin: Springer (2017; Zbl 1395.92001) Full Text: DOI
Hu, Guangping; Li, Xiaoling; Li, Dongliang Pattern dynamics of a diffusive predator-prey model with delay effect. (English) Zbl 1432.35203 Int. J. Biomath. 10, No. 4, Article ID 1750059, 18 p. (2017). MSC: 35Q92 92D25 35B32 35K51 35K55 70K50 81-10 92B25 PDF BibTeX XML Cite \textit{G. Hu} et al., Int. J. Biomath. 10, No. 4, Article ID 1750059, 18 p. (2017; Zbl 1432.35203) Full Text: DOI
Leszczynski, Jerzy (ed.); Kaczmarek-Kedziera, Aanna (ed.); Puzyn, Tomasz (ed.); Papadopoulos, Manthos G. (ed.); Reis, Heribert (ed.); Shukla, Manoj K. (ed.) Handbook of computational chemistry. 2nd edition. (English) Zbl 1366.81020 Berlin: Springer (ISBN 978-3-319-27281-8/print). xxvi, 2381 p. (2017). Reviewer: Eugene Kryachko (Liège) MSC: 81-08 81V55 82-08 82B10 82C10 92-08 92E10 00A79 PDF BibTeX XML Cite \textit{J. Leszczynski} (ed.) et al., Handbook of computational chemistry. 2nd edition. Berlin: Springer (2017; Zbl 1366.81020)
Sellier, J. M.; Ivanova, D. Y.; Dimov, I. A study on quantum similarity in the phase space. (English) Zbl 1400.81036 Physica A 460, 116-120 (2016). MSC: 81P40 82B10 PDF BibTeX XML Cite \textit{J. M. Sellier} et al., Physica A 460, 116--120 (2016; Zbl 1400.81036) Full Text: DOI
Gutman, Ivan; Triantafillou, Irene Dependence of graph energy on nullity: a case study. (English) Zbl 1461.05127 MATCH Commun. Math. Comput. Chem. 76, No. 3, 761-769 (2016). MSC: 05C50 05C92 92E10 PDF BibTeX XML Cite \textit{I. Gutman} and \textit{I. Triantafillou}, MATCH Commun. Math. Comput. Chem. 76, No. 3, 761--769 (2016; Zbl 1461.05127)
Roos, Björn O.; Lindh, Roland; Malmqvist, Per Åke; Veryazov, Valera; Widmark, Per-Olof Multiconfigurational quantum chemistry. (English) Zbl 1346.92005 Hoboken, NJ: John Wiley & Sons (ISBN 978-0-470-63346-5/hbk; 978-1-119-12617-1/ebook). xiv, 223 p. (2016). MSC: 92-02 92E10 81V99 PDF BibTeX XML Cite \textit{B. O. Roos} et al., Multiconfigurational quantum chemistry. Hoboken, NJ: John Wiley \& Sons (2016; Zbl 1346.92005) Full Text: DOI
Moll, Nikolaj; Fuhrer, Andreas; Staar, Peter; Tavernelli, Ivano Optimizing qubit resources for quantum chemistry simulations in second quantization on a quantum computer. (English) Zbl 1346.81028 J. Phys. A, Math. Theor. 49, No. 29, Article ID 295301, 16 p. (2016). MSC: 81P68 81V55 68Q12 PDF BibTeX XML Cite \textit{N. Moll} et al., J. Phys. A, Math. Theor. 49, No. 29, Article ID 295301, 16 p. (2016; Zbl 1346.81028) Full Text: DOI arXiv
Fet, Abram I. Group theory of chemical elements. Structure and properties of elements and compounds. (English) Zbl 1356.81006 De Gruyter Studies in Mathematical Physics 34. Berlin: De Gruyter (ISBN 978-3-11-047518-0/hbk; 978-3-11-047623-1/ebook). xvi, 183 p. (2016). Reviewer: Eugene Kryachko (Liège) MSC: 81-02 81Q05 81R05 81Q10 81V45 81V55 81V22 22E70 80A50 PDF BibTeX XML Cite \textit{A. I. Fet}, Group theory of chemical elements. Structure and properties of elements and compounds. Berlin: De Gruyter (2016; Zbl 1356.81006) Full Text: DOI
Cooper, Fred; Dawson, John F. Auxiliary field loop expansion of the effective action for a class of stochastic partial differential equations. (English) Zbl 1342.35460 Ann. Phys. 365, 118-154 (2016). MSC: 35R60 60H15 82C10 81S40 82C35 82C28 81T17 81R40 92E20 PDF BibTeX XML Cite \textit{F. Cooper} and \textit{J. F. Dawson}, Ann. Phys. 365, 118--154 (2016; Zbl 1342.35460) Full Text: DOI arXiv
Cancés, Eric; Gontier, David; Stoltz, Gabriel A mathematical analysis of the GW\(^0\) method for computing electronic excited energies of molecules. (English) Zbl 1456.81185 Rev. Math. Phys. 28, No. 4, Article ID 1650008, 51 p. (2016). MSC: 81Q15 81Q40 47N60 35J08 81V55 PDF BibTeX XML Cite \textit{E. Cancés} et al., Rev. Math. Phys. 28, No. 4, Article ID 1650008, 51 p. (2016; Zbl 1456.81185) Full Text: DOI arXiv
Sala, Matthieu Quantum dynamics and laser control for photochemistry. (English) Zbl 1330.92006 Springer Theses. Cham: Springer; Dijon: Univ. de Bourgogne (Diss.) (ISBN 978-3-319-28978-6/hbk; 978-3-319-28979-3/ebook). xiii, 189 p. (2016). MSC: 92-02 92E20 80A30 78A60 00A79 PDF BibTeX XML Cite \textit{M. Sala}, Quantum dynamics and laser control for photochemistry. Cham: Springer; Dijon: Univ. de Bourgogne (Diss.) (2016; Zbl 1330.92006) Full Text: DOI
Bock, Nicolas; Challacombe, Matt; Kalé, Laxmikant V. Solvers for \(\mathcal{O}(N)\) electronic structure in the strong scaling limit. (English) Zbl 1336.65054 SIAM J. Sci. Comput. 38, No. 1, C1-C21 (2016). MSC: 65F15 65F30 65F35 65F50 65Y05 81V45 81V55 PDF BibTeX XML Cite \textit{N. Bock} et al., SIAM J. Sci. Comput. 38, No. 1, C1--C21 (2016; Zbl 1336.65054) Full Text: DOI arXiv
Gupta, V. P. Principles and applications of quantum chemistry. (English) Zbl 1334.81005 Amsterdam: Elsevier/Academic Press (ISBN 978-0-12-803478-1/pbk). xxxi, 446 p. (2016). Reviewer: T. C. Mohan (Chennai) MSC: 81-02 81V55 00A79 92E20 82B30 82B35 80A32 PDF BibTeX XML Cite \textit{V. P. Gupta}, Principles and applications of quantum chemistry. Amsterdam: Elsevier/Academic Press (2016; Zbl 1334.81005) Full Text: Link
Shadbolt, Peter Complexity and control in quantum photonics. (English) Zbl 1336.81006 Springer Theses. Cham: Springer; Bristol: Univ. of Bristol (Diss.) (ISBN 978-3-319-21517-4/hbk; 978-3-319-21518-1/ebook). xviii, 208 p. (2016). Reviewer: Eugene Kryachko (Liège) MSC: 81-02 81V80 81P68 81P40 81P50 81P05 00A79 PDF BibTeX XML Cite \textit{P. Shadbolt}, Complexity and control in quantum photonics. Cham: Springer; Bristol: Univ. of Bristol (Diss.) (2016; Zbl 1336.81006) Full Text: DOI
Shepard, Ron (ed.); Pitzer, Russell M. (ed.); Dunning, Thom (ed.) Isaiah Shavitt. A memorial Festschrift from theoretical chemistry accounts. Reprinted from the journal Theoretical Chemistry Accounts 133 (2014). (English) Zbl 1323.92005 Highlights in Theoretical Chemistry 9. Berlin: Springer (ISBN 978-3-662-48147-9/hbk; 978-3-662-48148-6/ebook). vii, 359 p. (2016). MSC: 92-06 92E10 92D20 92E99 82C10 82C20 00B30 00B15 PDF BibTeX XML Cite \textit{R. Shepard} (ed.) et al., Isaiah Shavitt. A memorial Festschrift from theoretical chemistry accounts. Reprinted from the journal Theoretical Chemistry Accounts 133 (2014). Berlin: Springer (2016; Zbl 1323.92005) Full Text: DOI
Sellier, J. M.; Sviercoski, R. F.; Dimov, I. On the Wigner Monte Carlo method coupled to pseudopotential models. (English) Zbl 1325.81197 J. Comput. Appl. Math. 293, 217-222 (2016). MSC: 81V55 81V45 81V70 65C05 68U20 PDF BibTeX XML Cite \textit{J. M. Sellier} et al., J. Comput. Appl. Math. 293, 217--222 (2016; Zbl 1325.81197) Full Text: DOI
Sellier, J. M.; Ivanova, D. Y.; Dimov, I. Molecular descriptors and quasi-distribution functions. (English) Zbl 1443.81047 Comput. Math. Appl. 70, No. 11, 2726-2731 (2015). MSC: 81S20 PDF BibTeX XML Cite \textit{J. M. Sellier} et al., Comput. Math. Appl. 70, No. 11, 2726--2731 (2015; Zbl 1443.81047) Full Text: DOI
Baez, John C.; Fong, Brendan Quantum techniques for studying equilibrium in reaction networks. (English) Zbl 1397.92783 J. Complex Netw. 3, No. 1, 22-34 (2015). MSC: 92E20 68Q85 81P68 PDF BibTeX XML Cite \textit{J. C. Baez} and \textit{B. Fong}, J. Complex Netw. 3, No. 1, 22--34 (2015; Zbl 1397.92783) Full Text: DOI arXiv
Sellier, J. M.; Nedjalkov, M.; Dimov, I. An introduction to applied quantum mechanics in the Wigner Monte Carlo formalism. (English) Zbl 1357.81133 Phys. Rep. 577, 1-34 (2015). MSC: 81S30 81V70 PDF BibTeX XML Cite \textit{J. M. Sellier} et al., Phys. Rep. 577, 1--34 (2015; Zbl 1357.81133) Full Text: DOI
Biborski, Andrzej; Kądzielawa, Andrzej P.; Spałek, Józef Combined shared and distributed memory ab-initio computations of molecular-hydrogen systems in the correlated state: Process pool solution and two-level parallelism. (English) Zbl 1351.81015 Comput. Phys. Commun. 197, 7-16 (2015). MSC: 81-08 82C10 82C22 81P40 82-08 81V55 65Y05 PDF BibTeX XML Cite \textit{A. Biborski} et al., Comput. Phys. Commun. 197, 7--16 (2015; Zbl 1351.81015) Full Text: DOI arXiv
Scott, T. C.; Zhang, Wenxing Efficient hybrid-symbolic methods for quantum mechanical calculations. (English) Zbl 1344.81028 Comput. Phys. Commun. 191, 221-234 (2015). MSC: 81-04 81V55 PDF BibTeX XML Cite \textit{T. C. Scott} and \textit{W. Zhang}, Comput. Phys. Commun. 191, 221--234 (2015; Zbl 1344.81028) Full Text: DOI
Bach, Volker; Knörr, Hans Konrad; Menge, Edmund Representability conditions by Grassmann integration. (English) Zbl 1342.81119 Adv. Theor. Math. Phys. 19, No. 6, 1141-1182 (2015). Reviewer: Gert Roepstorff (Aachen) MSC: 81Q10 81V70 81V55 15A75 PDF BibTeX XML Cite \textit{V. Bach} et al., Adv. Theor. Math. Phys. 19, No. 6, 1141--1182 (2015; Zbl 1342.81119) Full Text: DOI arXiv
Xu, Lan; Xu, Bo Environment-assisted quantum critical effect for excitation energy transfer in a LH2-type trimer. (English) Zbl 1325.81198 Int. J. Theor. Phys. 54, No. 10, 3739-3746 (2015). MSC: 81V55 81V22 81V80 80A50 82C27 82C20 PDF BibTeX XML Cite \textit{L. Xu} and \textit{B. Xu}, Int. J. Theor. Phys. 54, No. 10, 3739--3746 (2015; Zbl 1325.81198) Full Text: DOI
Van Loan, Charles F.; Vokt, Joseph P. Approximating matrices with multiple symmetries. (English) Zbl 1319.65032 SIAM J. Matrix Anal. Appl. 36, No. 3, 974-993 (2015). MSC: 65F30 65F05 15A69 15B57 PDF BibTeX XML Cite \textit{C. F. Van Loan} and \textit{J. P. Vokt}, SIAM J. Matrix Anal. Appl. 36, No. 3, 974--993 (2015; Zbl 1319.65032) Full Text: DOI arXiv
Nalewajski, Roman F. Entropic descriptors of quantum communications in molecules. (English) Zbl 1307.92372 J. Math. Chem. 53, No. 1, 1-28 (2015). MSC: 92E20 94A17 PDF BibTeX XML Cite \textit{R. F. Nalewajski}, J. Math. Chem. 53, No. 1, 1--28 (2015; Zbl 1307.92372) Full Text: DOI
Cancès, Eric Mathematical models and numerical methods for electronic structure calculation. (English) Zbl 1373.81196 Jang, Sun Young (ed.) et al., Proceedings of the International Congress of Mathematicians (ICM 2014), Seoul, Korea, August 13–21, 2014. Vol. IV: Invited lectures. Seoul: KM Kyung Moon Sa (ISBN 978-89-6105-807-0/hbk; 978-89-6105-803-2/set). 1017-1042 (2014). MSC: 81Q05 35A15 PDF BibTeX XML Cite \textit{E. Cancès}, in: Proceedings of the International Congress of Mathematicians (ICM 2014), Seoul, Korea, August 13--21, 2014. Vol. IV: Invited lectures. Seoul: KM Kyung Moon Sa. 1017--1042 (2014; Zbl 1373.81196)
Kireeva, A. E. A two-layer cellular automata model of carbon monoxide oxidation reaction. (English) Zbl 1374.37122 Jt. Bull. NCC IIS, Ser. Comput. Sci. 36, 33-45 (2014). MSC: 37N20 37B15 92E20 PDF BibTeX XML Cite \textit{A. E. Kireeva}, Jt. Bull. NCC IIS, Ser. Comput. Sci. 36, 33--45 (2014; Zbl 1374.37122) Full Text: Link
Sellier, J. M.; Dimov, I. A Wigner Monte Carlo approach to density functional theory. (English) Zbl 1349.81132 J. Comput. Phys. 270, 265-277 (2014). MSC: 81T10 PDF BibTeX XML Cite \textit{J. M. Sellier} and \textit{I. Dimov}, J. Comput. Phys. 270, 265--277 (2014; Zbl 1349.81132) Full Text: DOI
Wouters, Sebastian; Poelmans, Ward; Ayers, Paul W.; van Neck, Dimitri CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry. (English) Zbl 1348.81029 Comput. Phys. Commun. 185, No. 6, 1501-1514 (2014). MSC: 81-04 81-08 81V70 81T17 PDF BibTeX XML Cite \textit{S. Wouters} et al., Comput. Phys. Commun. 185, No. 6, 1501--1514 (2014; Zbl 1348.81029) Full Text: DOI arXiv Link