Belkić, Dževad Quantum-mechanical four-body versus semi-classical three-body theories for double charge exchange in collisions of fast alpha particles with helium targets. (English) Zbl 07812885 J. Math. Chem. 62, No. 3, 606-633 (2024). MSC: 81Uxx 81Vxx 92Cxx PDFBibTeX XMLCite \textit{D. Belkić}, J. Math. Chem. 62, No. 3, 606--633 (2024; Zbl 07812885) Full Text: DOI OA License
Gözükırmızı, Coşar Pure quadratization and solution of ordinary differential equations by probabilistic evolution theory with concurrent computation of coefficients using exact arithmetic. (English) Zbl 07812884 J. Math. Chem. 62, No. 3, 654-680 (2024). MSC: 34A34 65L05 34-04 PDFBibTeX XMLCite \textit{C. Gözükırmızı}, J. Math. Chem. 62, No. 3, 654--680 (2024; Zbl 07812884) Full Text: DOI
Reed, B. Cameron; Bason, Gregory L. An alternative approach to normalizing the Coulomb \(R_{n\ell}(r)\) radial solutions. (English) Zbl 07812883 J. Math. Chem. 62, No. 3, 681-688 (2024). MSC: 81-XX PDFBibTeX XMLCite \textit{B. C. Reed} and \textit{G. L. Bason}, J. Math. Chem. 62, No. 3, 681--688 (2024; Zbl 07812883) Full Text: DOI
Medvedeva, Marina A.; Simos, T. E. An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues. (English) Zbl 07812881 J. Math. Chem. 62, No. 3, 761-801 (2024). MSC: 65L05 92E99 PDFBibTeX XMLCite \textit{M. A. Medvedeva} and \textit{T. E. Simos}, J. Math. Chem. 62, No. 3, 761--801 (2024; Zbl 07812881) Full Text: DOI
Vigo-Aguiar, J.; Chawla, Reetika; Kumar, Devendra; Mazumdar, Tapas An implicit scheme for time-fractional coupled generalized Burgers’ equation. (English) Zbl 07812880 J. Math. Chem. 62, No. 3, 689-710 (2024). MSC: 26A33 65M12 35R11 41A15 65D07 PDFBibTeX XMLCite \textit{J. Vigo-Aguiar} et al., J. Math. Chem. 62, No. 3, 689--710 (2024; Zbl 07812880) Full Text: DOI
Melgaard, M.; Syrjanen, V. J. J. Spectral approximation scheme for a hybrid, spin-density Kohn-Sham density-functional theory in an external (nonuniform) magnetic field and a collinear exchange-correlation energy. (English) Zbl 07812879 J. Math. Chem. 62, No. 3, 711-760 (2024). MSC: 81V55 81V10 PDFBibTeX XMLCite \textit{M. Melgaard} and \textit{V. J. J. Syrjanen}, J. Math. Chem. 62, No. 3, 711--760 (2024; Zbl 07812879) Full Text: DOI OA License
Belkić, Dževad; Belkić, Karen Optimized derivative fast Fourier transform with high resolution and low noise from encoded time signals: ovarian NMR spectroscopy. (English) Zbl 07812877 J. Math. Chem. 62, No. 3, 535-554 (2024). MSC: 92C55 65T50 PDFBibTeX XMLCite \textit{D. Belkić} and \textit{K. Belkić}, J. Math. Chem. 62, No. 3, 535--554 (2024; Zbl 07812877) Full Text: DOI OA License
Morales-Bayuelo, Alejandro Quantifying the distortion by spin-orbit and spin-spin coupling in molecular clusters using molecular quantum similarity. (English) Zbl 07812876 J. Math. Chem. 62, No. 3, 591-605 (2024). MSC: 81V55 PDFBibTeX XMLCite \textit{A. Morales-Bayuelo}, J. Math. Chem. 62, No. 3, 591--605 (2024; Zbl 07812876) Full Text: DOI
Ghosh, Paulami; Bera, Nabakumar Laws of physical chemistry: a potential tool for generating some series and to evaluate their sum. (English) Zbl 07812593 J. Math. Chem. 62, No. 4, 865-886 (2024). MSC: 47Axx 81-XX 00Axx PDFBibTeX XMLCite \textit{P. Ghosh} and \textit{N. Bera}, J. Math. Chem. 62, No. 4, 865--886 (2024; Zbl 07812593) Full Text: DOI
Sakariya, Harshad; Kumar, Sushil Numerical simulation of the time fractional Gray-Scott model on 2D space domains using radial basis functions. (English) Zbl 07812592 J. Math. Chem. 62, No. 4, 836-864 (2024). MSC: 65M70 65M06 65N35 65D12 35K57 80A32 26A33 35R11 35Q79 PDFBibTeX XMLCite \textit{H. Sakariya} and \textit{S. Kumar}, J. Math. Chem. 62, No. 4, 836--864 (2024; Zbl 07812592) Full Text: DOI
Martínez-Araya, Jorge I. Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively? (English) Zbl 07796565 J. Math. Chem. 62, No. 2, 461-475 (2024). MSC: 68-XX 92-XX PDFBibTeX XMLCite \textit{J. I. Martínez-Araya}, J. Math. Chem. 62, No. 2, 461--475 (2024; Zbl 07796565) Full Text: DOI
Celebre, Giorgio Might molecular symmetry operations exist “partially”? (English) Zbl 07796563 J. Math. Chem. 62, No. 2, 406-424 (2024). MSC: 92E10 20C35 PDFBibTeX XMLCite \textit{G. Celebre}, J. Math. Chem. 62, No. 2, 406--424 (2024; Zbl 07796563) Full Text: DOI
Donati, Luca; Fackeldey, Konstantin; Weber, Marcus Augmented ant colony algorithm for virtual drug discovery. (English) Zbl 07796561 J. Math. Chem. 62, No. 2, 367-385 (2024). MSC: 92C40 90C59 PDFBibTeX XMLCite \textit{L. Donati} et al., J. Math. Chem. 62, No. 2, 367--385 (2024; Zbl 07796561) Full Text: DOI OA License
Fernández, Francisco M. On the pseudoharmonic oscillator as a model for the electronic potential-energy function of a diatomic molecule. (English) Zbl 07796557 J. Math. Chem. 62, No. 2, 313-316 (2024). MSC: 81-XX 82-XX PDFBibTeX XMLCite \textit{F. M. Fernández}, J. Math. Chem. 62, No. 2, 313--316 (2024; Zbl 07796557) Full Text: DOI
Pandey, Anjani K.; Dixit, Chandra K.; Srivastava, Shivam Theoretical model for the prediction of lattice energy of diatomic metal halides. (English) Zbl 07796554 J. Math. Chem. 62, No. 1, 269-274 (2024). MSC: 81-XX 82-XX PDFBibTeX XMLCite \textit{A. K. Pandey} et al., J. Math. Chem. 62, No. 1, 269--274 (2024; Zbl 07796554) Full Text: DOI
Cassam-Chenaï, Patrick A conjecture on antisymmetrized geminal power wavefunctions. (English) Zbl 07796551 J. Math. Chem. 62, No. 1, 222-227 (2024). MSC: 81-XX 05-XX PDFBibTeX XMLCite \textit{P. Cassam-Chenaï}, J. Math. Chem. 62, No. 1, 222--227 (2024; Zbl 07796551) Full Text: DOI arXiv
Choudhary, Renu; Kumar, Devendra Collocation-based numerical simulation of fractional order Allen-Cahn equation. (English) Zbl 07796548 J. Math. Chem. 62, No. 1, 145-168 (2024). MSC: 65L05 35R11 34K37 65D07 65M12 65M70 65D07 PDFBibTeX XMLCite \textit{R. Choudhary} and \textit{D. Kumar}, J. Math. Chem. 62, No. 1, 145--168 (2024; Zbl 07796548) Full Text: DOI
Manohara, G.; Kumbinarasaiah, S. Numerical solution of some stiff systems arising in chemistry via Taylor wavelet collocation method. (English) Zbl 07796544 J. Math. Chem. 62, No. 1, 24-61 (2024). MSC: 65L05 34B16 34A12 65L10 92E99 PDFBibTeX XMLCite \textit{G. Manohara} and \textit{S. Kumbinarasaiah}, J. Math. Chem. 62, No. 1, 24--61 (2024; Zbl 07796544) Full Text: DOI
Belkić, Dževad Various mechanisms for double capture from helium targets by alpha particles. (English) Zbl 07745954 J. Math. Chem. 61, No. 9, 2019-2044 (2023). MSC: 81U05 81U10 70F10 94A34 35B38 81V05 81P47 35B20 81V35 PDFBibTeX XMLCite \textit{D. Belkić}, J. Math. Chem. 61, No. 9, 2019--2044 (2023; Zbl 07745954) Full Text: DOI
Carbó-Dorca, Ramon; Nath, Debraj A study of fermionic Cooper pairs. (English) Zbl 07745949 J. Math. Chem. 61, No. 9, 1916-1923 (2023). MSC: 82Dxx 81Vxx 81Pxx PDFBibTeX XMLCite \textit{R. Carbó-Dorca} and \textit{D. Nath}, J. Math. Chem. 61, No. 9, 1916--1923 (2023; Zbl 07745949) Full Text: DOI
Medvedeva, Marina A.; Simos, T. E. Solution of quantum chemical problems by a very effective and relatively inexpensive two-step, fourteenth-order, phase-fitting procedure. (English) Zbl 07745948 J. Math. Chem. 61, No. 9, 1888-1915 (2023). MSC: 65L05 PDFBibTeX XMLCite \textit{M. A. Medvedeva} and \textit{T. E. Simos}, J. Math. Chem. 61, No. 9, 1888--1915 (2023; Zbl 07745948) Full Text: DOI
Roul, Pradip; Prasad Goura, V. M. K.; Agarwal, Ravi An optimal computational method for a general class of nonlinear boundary value problems. (English) Zbl 07745946 J. Math. Chem. 61, No. 9, 1842-1878 (2023). MSC: 65Lxx 34Bxx 92Cxx PDFBibTeX XMLCite \textit{P. Roul} et al., J. Math. Chem. 61, No. 9, 1842--1878 (2023; Zbl 07745946) Full Text: DOI
Du, Yu; Lin, Chia-Liang; Sun, Bin; Simos, T. E. Solution of quantum chemical problems using an extremely successful and reasonably cost two-step, fourteenth-order phase-fitting approach. (English) Zbl 07745938 J. Math. Chem. 61, No. 10, 2045-2078 (2023). MSC: 65L05 PDFBibTeX XMLCite \textit{Y. Du} et al., J. Math. Chem. 61, No. 10, 2045--2078 (2023; Zbl 07745938) Full Text: DOI
Bao, Wei; Lin, Chia-Liang; Sun, Bin; Simos, T. E. Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems. (English) Zbl 07724033 J. Math. Chem. 61, No. 8, 1797-1823 (2023). MSC: 65L05 PDFBibTeX XMLCite \textit{W. Bao} et al., J. Math. Chem. 61, No. 8, 1797--1823 (2023; Zbl 07724033) Full Text: DOI
Zhuk, P. F.; Karakhim, S. O. Two different types of kinetics, where the initial rate increases faster or slower than the reactant concentration, can coexist on bell-shaped kinetic dependencies. (English) Zbl 1519.92087 J. Math. Chem. 61, No. 8, 1758-1796 (2023). MSC: 92C45 65H10 PDFBibTeX XMLCite \textit{P. F. Zhuk} and \textit{S. O. Karakhim}, J. Math. Chem. 61, No. 8, 1758--1796 (2023; Zbl 1519.92087) Full Text: DOI
Chattaraj, Pratim Kumar; Pal, Ranita A modified cusp condition for the single density equations of DFT and orbital-free DFT for atoms. (English) Zbl 07724029 J. Math. Chem. 61, No. 8, 1717-1725 (2023). MSC: 81V10 81V35 14B05 78A35 35G15 PDFBibTeX XMLCite \textit{P. K. Chattaraj} and \textit{R. Pal}, J. Math. Chem. 61, No. 8, 1717--1725 (2023; Zbl 07724029) Full Text: DOI
Paul, Jayanta; Ghosh, Debdulal; Kumar, Jitendra Accurate and efficient flux-corrected finite volume approximation for the fragmentation problem. (English) Zbl 07724028 J. Math. Chem. 61, No. 8, 1696-1716 (2023). MSC: 65Mxx 65R20 45K05 65M08 PDFBibTeX XMLCite \textit{J. Paul} et al., J. Math. Chem. 61, No. 8, 1696--1716 (2023; Zbl 07724028) Full Text: DOI
Dong, Shi-Hai; Sun, Guo-Hua Exact solutions of the Schrödinger equation with a complex periodic potential. (English) Zbl 07724027 J. Math. Chem. 61, No. 8, 1684-1695 (2023). MSC: 81Q05 35Q41 47A10 14M12 35P15 70H45 22E70 PDFBibTeX XMLCite \textit{S.-H. Dong} and \textit{G.-H. Sun}, J. Math. Chem. 61, No. 8, 1684--1695 (2023; Zbl 07724027) Full Text: DOI
Coşkun, M.; Ertürk, M. Applicability of noninteger Bessel type orbital basis sets: numerical and analytical approaches. (English) Zbl 07724026 J. Math. Chem. 61, No. 8, 1672-1683 (2023). MSC: 65-XX PDFBibTeX XMLCite \textit{M. Coşkun} and \textit{M. Ertürk}, J. Math. Chem. 61, No. 8, 1672--1683 (2023; Zbl 07724026) Full Text: DOI
Morales-Bayuelo, Alejandro A possible way to quantify the philicity using molecular quantum similarity and chemical reactivity indices. (English) Zbl 07724025 J. Math. Chem. 61, No. 8, 1665-1671 (2023). MSC: 81V55 76M55 PDFBibTeX XMLCite \textit{A. Morales-Bayuelo}, J. Math. Chem. 61, No. 8, 1665--1671 (2023; Zbl 07724025) Full Text: DOI
Balasubramanian, Krishnan Characteristic polynomials, spectral-based Riemann-zeta functions and entropy indices of \(n\)-dimensional hypercubes. (English) Zbl 1518.05089 J. Math. Chem. 61, No. 7, 1570-1591 (2023). MSC: 05C31 05C92 92E10 11M06 PDFBibTeX XMLCite \textit{K. Balasubramanian}, J. Math. Chem. 61, No. 7, 1570--1591 (2023; Zbl 1518.05089) Full Text: DOI
Lin, Chia-Liang; Simos, T. E. Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry. (English) Zbl 1515.65196 J. Math. Chem. 61, No. 7, 1545-1569 (2023). MSC: 65L06 65L05 65L20 PDFBibTeX XMLCite \textit{C.-L. Lin} and \textit{T. E. Simos}, J. Math. Chem. 61, No. 7, 1545--1569 (2023; Zbl 1515.65196) Full Text: DOI
Flores-Gallegos, N. On the information obtained using Shannon’s entropy through spin density. (English) Zbl 1519.92364 J. Math. Chem. 61, No. 7, 1532-1544 (2023). MSC: 92E20 81V55 94A17 PDFBibTeX XMLCite \textit{N. Flores-Gallegos}, J. Math. Chem. 61, No. 7, 1532--1544 (2023; Zbl 1519.92364) Full Text: DOI
Jia, Ji-Teng; Wang, Fu-Rong On the efficient and accurate determinant evaluation of periodic tridiagonal Toeplitz matrices. (English) Zbl 1522.15006 J. Math. Chem. 61, No. 7, 1504-1521 (2023). Reviewer: Carlos M. da Fonseca (Safat) MSC: 15A15 15B05 65F40 11C20 PDFBibTeX XMLCite \textit{J.-T. Jia} and \textit{F.-R. Wang}, J. Math. Chem. 61, No. 7, 1504--1521 (2023; Zbl 1522.15006) Full Text: DOI
Nath, Debraj; Roy, Amlan K. Average energy and Shannon entropy of a confined harmonic oscillator in a time-dependent moving boundary. (English) Zbl 1518.94029 J. Math. Chem. 61, No. 7, 1491-1503 (2023). MSC: 94A17 05C50 35J10 PDFBibTeX XMLCite \textit{D. Nath} and \textit{A. K. Roy}, J. Math. Chem. 61, No. 7, 1491--1503 (2023; Zbl 1518.94029) Full Text: DOI
Lin, Chia-Liang; Simos, T. E. Phase-fitting, singularly P-stable, cost-effective two-step approach to solving problems in quantum chemistry with vanishing phase-lag derivatives up to order 6. (English) Zbl 1515.65195 J. Math. Chem. 61, No. 6, 1414-1452 (2023). MSC: 65L06 65L05 65L20 PDFBibTeX XMLCite \textit{C.-L. Lin} and \textit{T. E. Simos}, J. Math. Chem. 61, No. 6, 1414--1452 (2023; Zbl 1515.65195) Full Text: DOI
Yildiz, Burhan; Kaanoglu, Cem; Bashiry, Vali Shape analysis of an axisymmetric pendant drop using minimization of free energy. (English) Zbl 1516.76017 J. Math. Chem. 61, No. 6, 1403-1413 (2023). MSC: 76B45 76M30 76T99 PDFBibTeX XMLCite \textit{B. Yildiz} et al., J. Math. Chem. 61, No. 6, 1403--1413 (2023; Zbl 1516.76017) Full Text: DOI
Nath, Debraj; Carbó-Dorca, Ramon Information-theoretic spreading measures of a particle confined in a 3D infinite spherical well. (English) Zbl 07695652 J. Math. Chem. 61, No. 6, 1383-1402 (2023). MSC: 81Pxx PDFBibTeX XMLCite \textit{D. Nath} and \textit{R. Carbó-Dorca}, J. Math. Chem. 61, No. 6, 1383--1402 (2023; Zbl 07695652) Full Text: DOI
Jia, Ji-Teng; Wang, Fu-Rong A cost-efficient numerical algorithm for the determinants of heptadiagonal matrices with Toeplitz structure. (English) Zbl 1515.65092 J. Math. Chem. 61, No. 6, 1275-1291 (2023). MSC: 65F40 15B05 PDFBibTeX XMLCite \textit{J.-T. Jia} and \textit{F.-R. Wang}, J. Math. Chem. 61, No. 6, 1275--1291 (2023; Zbl 1515.65092) Full Text: DOI
Arnrich, Steffen; Kalies, Grit A natural regularization of the adsorption integral equation with Langmuir-kernel. (English) Zbl 1516.45001 J. Math. Chem. 61, No. 6, 1248-1274 (2023). MSC: 45B05 45E10 45Q05 42A38 PDFBibTeX XMLCite \textit{S. Arnrich} and \textit{G. Kalies}, J. Math. Chem. 61, No. 6, 1248--1274 (2023; Zbl 1516.45001) Full Text: DOI
Lam, Ching-Wan Enumeration of constitutional isomers of methyl alkanes by means of alkyl biradicals: equivalence of odd and even isomer series of symmetrical methyl alkanes. (English) Zbl 1525.92083 J. Math. Chem. 61, No. 6, 1239-1247 (2023). Reviewer: Niko Tratnik (Maribor) MSC: 92E10 05A15 05C92 PDFBibTeX XMLCite \textit{C.-W. Lam}, J. Math. Chem. 61, No. 6, 1239--1247 (2023; Zbl 1525.92083) Full Text: DOI
Poddar, Arpita; Pal, Ranita; Rong, Chunying; Chattaraj, Pratim Kumar A conceptual DFT and information-theoretic approach towards QSPR modeling in polychlorobiphenyls. (English) Zbl 07673479 J. Math. Chem. 61, No. 5, 1143-1164 (2023). MSC: 62-XX 93-XX PDFBibTeX XMLCite \textit{A. Poddar} et al., J. Math. Chem. 61, No. 5, 1143--1164 (2023; Zbl 07673479) Full Text: DOI
Fujita, Shinsaku Stereoisograms for three-membered heterocycles. IV: Half-size-subgroup method for type-itemized enumeration of oxiranes under an RS-stereoisomeric group. (English) Zbl 1512.92149 J. Math. Chem. 61, No. 5, 1077-1111 (2023). MSC: 92E10 05A99 PDFBibTeX XMLCite \textit{S. Fujita}, J. Math. Chem. 61, No. 5, 1077--1111 (2023; Zbl 1512.92149) Full Text: DOI
Carbó-Dorca, Ramon Quantum similarity and QSPR in Euclidean-, and Minkowskian-Banach spaces. (English) Zbl 1521.81245 J. Math. Chem. 61, No. 5, 1016-1035 (2023). MSC: 81T33 32A65 51B20 51A20 68Q12 68T07 92B20 76M55 PDFBibTeX XMLCite \textit{R. Carbó-Dorca}, J. Math. Chem. 61, No. 5, 1016--1035 (2023; Zbl 1521.81245) Full Text: DOI
Yamano, Takuya Inequality-induced similarity measures for radial electronic probability densities in hydrogenic atoms. (English) Zbl 1511.94027 J. Math. Chem. 61, No. 5, 1004-1015 (2023). MSC: 94A17 94A15 PDFBibTeX XMLCite \textit{T. Yamano}, J. Math. Chem. 61, No. 5, 1004--1015 (2023; Zbl 1511.94027) Full Text: DOI
Carballosa, Walter; Quintana, Yamilet; Rodríguez, José M.; Sigarreta, José M. Exponential topological indices: optimal inequalities and applications. (English) Zbl 1511.05046 J. Math. Chem. 61, No. 5, 933-949 (2023). MSC: 05C09 05C92 05C07 92E10 PDFBibTeX XMLCite \textit{W. Carballosa} et al., J. Math. Chem. 61, No. 5, 933--949 (2023; Zbl 1511.05046) Full Text: DOI
Fernández, Francisco M. Comment on: “Semi-exact solutions of sextic potential plus a centrifugal term”. (English) Zbl 1515.81089 J. Math. Chem. 61, No. 5, 893-895 (2023). MSC: 81Q05 81U15 33C15 PDFBibTeX XMLCite \textit{F. M. Fernández}, J. Math. Chem. 61, No. 5, 893--895 (2023; Zbl 1515.81089) Full Text: DOI
Pandit, Biswajit; Rawani, Mukesh Kumar; Verma, Amit Kumar; Cattani, Carlo Numerical approximation of higher order singular boundary value problem by using Haar functions. (English) Zbl 07673463 J. Math. Chem. 61, No. 3, 539-568 (2023). MSC: 65Lxx PDFBibTeX XMLCite \textit{B. Pandit} et al., J. Math. Chem. 61, No. 3, 539--568 (2023; Zbl 07673463) Full Text: DOI
Nath, Debraj; Carbó-Dorca, Ramon Quantum similarity index and Rényi complexity ratio of Kratzer type potential and compared with that of inverse square and Coulomb type potentials. (English) Zbl 1521.81020 J. Math. Chem. 61, No. 3, 435-454 (2023). MSC: 81P18 78A25 33C45 33C10 94A17 14Q20 PDFBibTeX XMLCite \textit{D. Nath} and \textit{R. Carbó-Dorca}, J. Math. Chem. 61, No. 3, 435--454 (2023; Zbl 1521.81020) Full Text: DOI
Frolov, Alexei M. Photodetachment of the outer-most electron(s) in few-electron atomic systems. Variational principle for the cross sections. (English) Zbl 1521.81424 J. Math. Chem. 61, No. 3, 402-434 (2023). MSC: 81U35 81V45 81V80 76X05 35A15 60J35 PDFBibTeX XMLCite \textit{A. M. Frolov}, J. Math. Chem. 61, No. 3, 402--434 (2023; Zbl 1521.81424) Full Text: DOI
Nath, Debraj; Roy, Amlan K. Energy and information-entropic measures of Hulthén potential in \(D\) dimension by a new approximation to centrifugal term. (English) Zbl 1512.94043 J. Math. Chem. 61, No. 4, 835-858 (2023). MSC: 94A17 35Q40 81Q05 PDFBibTeX XMLCite \textit{D. Nath} and \textit{A. K. Roy}, J. Math. Chem. 61, No. 4, 835--858 (2023; Zbl 1512.94043) Full Text: DOI
Frezzato, Diego Intrinsic timing in classical master equation dynamics from an extended quadratic format of the evolution law. (English) Zbl 1511.60118 J. Math. Chem. 61, No. 4, 806-834 (2023). MSC: 60J74 60J27 PDFBibTeX XMLCite \textit{D. Frezzato}, J. Math. Chem. 61, No. 4, 806--834 (2023; Zbl 1511.60118) Full Text: DOI
Chicharro, Francisco I.; Garrido, Neus; Jerezano, Julissa H.; Pérez-Palau, Daniel Family of fourth-order optimal classes for solving multiple-root nonlinear equations. (English) Zbl 1515.65118 J. Math. Chem. 61, No. 4, 736-760 (2023). MSC: 65H05 PDFBibTeX XMLCite \textit{F. I. Chicharro} et al., J. Math. Chem. 61, No. 4, 736--760 (2023; Zbl 1515.65118) Full Text: DOI
Flores-Gallegos, N. An approach to local electron energy in atoms through Rényi’s entropy. (English) Zbl 07673446 J. Math. Chem. 61, No. 4, 712-722 (2023). MSC: 82-XX 81-XX PDFBibTeX XMLCite \textit{N. Flores-Gallegos}, J. Math. Chem. 61, No. 4, 712--722 (2023; Zbl 07673446) Full Text: DOI
Máté, Mihály; Petrov, Klára; Szalay, Szilárd; Legeza, Örs Compressing multireference character of wave functions via fermionic mode optimization. (English) Zbl 1520.81189 J. Math. Chem. 61, No. 2, 362-375 (2023). MSC: 81V55 70M20 82B20 81V74 81P40 PDFBibTeX XMLCite \textit{M. Máté} et al., J. Math. Chem. 61, No. 2, 362--375 (2023; Zbl 1520.81189) Full Text: DOI arXiv
Jensen, Stig Rune; Durdek, Antoine; Bjørgve, Magnar; Wind, Peter; Flå, Tor; Frediani, Luca Kinetic energy-free Hartree-Fock equations: an integral formulation. (English) Zbl 1516.65076 J. Math. Chem. 61, No. 2, 343-361 (2023). Reviewer: Baasansuren Jadamba (Rochester) MSC: 65M12 65T60 65R20 65K10 65H10 65F08 65F10 82M36 81V45 35Q55 35Q40 PDFBibTeX XMLCite \textit{S. R. Jensen} et al., J. Math. Chem. 61, No. 2, 343--361 (2023; Zbl 1516.65076) Full Text: DOI
Udvardi, László; László, István Topological charges of fullerenes. (English) Zbl 1520.81178 J. Math. Chem. 61, No. 2, 335-342 (2023). MSC: 81V25 78A35 58E15 37N20 PDFBibTeX XMLCite \textit{L. Udvardi} and \textit{I. László}, J. Math. Chem. 61, No. 2, 335--342 (2023; Zbl 1520.81178) Full Text: DOI
Nagy, Á. Phase-space Rényi entropy, complexity and thermodynamic picture of density functional theory. (English) Zbl 07659125 J. Math. Chem. 61, No. 2, 296-304 (2023). MSC: 82-XX 81-XX PDFBibTeX XMLCite \textit{Á. Nagy}, J. Math. Chem. 61, No. 2, 296--304 (2023; Zbl 07659125) Full Text: DOI
Boyack, Rufus; Bhuiyan, Asadullah; Su, Aneca; Marsiglio, Frank The bound-state solutions of the one-dimensional pseudoharmonic oscillator. (English) Zbl 1518.81043 J. Math. Chem. 61, No. 1, 242-276 (2023). MSC: 81Q05 34L40 31A05 33C05 47A52 PDFBibTeX XMLCite \textit{R. Boyack} et al., J. Math. Chem. 61, No. 1, 242--276 (2023; Zbl 1518.81043) Full Text: DOI arXiv
Raghavan, Divya; Gómez-Aguilar, J. F.; Sukavanam, N. Analytical approach of Hilfer fractional order differential equations using iterative Laplace transform method. (English) Zbl 1516.34019 J. Math. Chem. 61, No. 1, 219-241 (2023). Reviewer: Syed Abbas (Mandi) MSC: 34A08 44A10 33E12 34A45 PDFBibTeX XMLCite \textit{D. Raghavan} et al., J. Math. Chem. 61, No. 1, 219--241 (2023; Zbl 1516.34019) Full Text: DOI
Gonzalez, Gerardo; Alexander, S. A.; Coldwell, R. L. Relativistic decay rates of one-electron atoms. (English) Zbl 1518.81127 J. Math. Chem. 61, No. 1, 193-218 (2023). MSC: 81V45 81Q05 81R20 81U90 15A66 33C90 PDFBibTeX XMLCite \textit{G. Gonzalez} et al., J. Math. Chem. 61, No. 1, 193--218 (2023; Zbl 1518.81127) Full Text: DOI
Balasubramanian, Krishnan Orthogonal polynomials through complex matrix graph theory. (English) Zbl 1523.42037 J. Math. Chem. 61, No. 1, 144-165 (2023). MSC: 42C05 33C45 05C05 05C31 05C90 92E10 05C92 PDFBibTeX XMLCite \textit{K. Balasubramanian}, J. Math. Chem. 61, No. 1, 144--165 (2023; Zbl 1523.42037) Full Text: DOI
Zafar, Fiza; Cordero, Alicia; Ashraf, Ifra; Torregrosa, Juan R. An optimal eighth order derivative free multiple root finding numerical method and applications to chemistry. (English) Zbl 1515.65121 J. Math. Chem. 61, No. 1, 98-124 (2023). MSC: 65H05 PDFBibTeX XMLCite \textit{F. Zafar} et al., J. Math. Chem. 61, No. 1, 98--124 (2023; Zbl 1515.65121) Full Text: DOI
Soomro, Hira; Zainuddin, Nooraini; Daud, Hanita; Sunday, Joshua; Jamaludin, Noraini; Abdullah, Abdullah; Mulono, Apriyanto; Kadir, Evizal Abdul 3-point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems. (English) Zbl 07643851 J. Math. Chem. 61, No. 1, 75-97 (2023). MSC: 65Lxx 34Axx 92Exx PDFBibTeX XMLCite \textit{H. Soomro} et al., J. Math. Chem. 61, No. 1, 75--97 (2023; Zbl 07643851) Full Text: DOI
Choudhary, Renu; Kumar, Devendra; Singh, Satpal Second-order convergent scheme for time-fractional partial differential equations with a delay in time. (English) Zbl 07643849 J. Math. Chem. 61, No. 1, 21-46 (2023). MSC: 65-XX 26A33 65D07 34K37 65M12 65M70 35R11 PDFBibTeX XMLCite \textit{R. Choudhary} et al., J. Math. Chem. 61, No. 1, 21--46 (2023; Zbl 07643849) Full Text: DOI
Manzhos, Sergei; Ihara, Manabu Optimization of hyperparameters of Gaussian process regression with the help of a low-order high-dimensional model representation: application to a potential energy surface. (English) Zbl 07643848 J. Math. Chem. 61, No. 1, 7-20 (2023). MSC: 62G08 62J02 62J05 81V55 PDFBibTeX XMLCite \textit{S. Manzhos} and \textit{M. Ihara}, J. Math. Chem. 61, No. 1, 7--20 (2023; Zbl 07643848) Full Text: DOI
Lin, Chia-Liang; Simos, T. E. A phase-fitting singularly P-stable cost-effective two-step method for solving chemistry problems. (English) Zbl 1515.65194 J. Math. Chem. 60, No. 10, 2094-2124 (2022). MSC: 65L06 65L05 65L20 PDFBibTeX XMLCite \textit{C.-L. Lin} and \textit{T. E. Simos}, J. Math. Chem. 60, No. 10, 2094--2124 (2022; Zbl 1515.65194) Full Text: DOI
Purohit, Kaushal R.; Parmar, Rajendrasinh H.; Rai, Ajay Kumar Solution of the modified Yukawa-Kratzer potential under influence of the external fields and its thermodynamic properties. (English) Zbl 1514.81118 J. Math. Chem. 60, No. 10, 1930-1982 (2022). MSC: 81Q05 78A30 81V45 35P10 80A10 41A58 PDFBibTeX XMLCite \textit{K. R. Purohit} et al., J. Math. Chem. 60, No. 10, 1930--1982 (2022; Zbl 1514.81118) Full Text: DOI
Díaz-Marín, Homero G.; López-Hernández, Francisco J.; Osuna, Osvaldo Global dynamics of solutions for enzyme catalysed models with almost periodic oscillatory input. (English) Zbl 1506.34064 J. Math. Chem. 60, No. 10, 1921-1929 (2022). MSC: 34C60 92C45 37C60 34C27 PDFBibTeX XMLCite \textit{H. G. Díaz-Marín} et al., J. Math. Chem. 60, No. 10, 1921--1929 (2022; Zbl 1506.34064) Full Text: DOI
Bradly, C. J.; Owczarek, A. L. Critical scaling of lattice polymers confined to a box without endpoint restriction. (English) Zbl 1500.82003 J. Math. Chem. 60, No. 10, 1903-1920 (2022). MSC: 82B20 82B26 82B27 82B41 82D60 82M31 PDFBibTeX XMLCite \textit{C. J. Bradly} and \textit{A. L. Owczarek}, J. Math. Chem. 60, No. 10, 1903--1920 (2022; Zbl 1500.82003) Full Text: DOI arXiv
Nath, Debraj Study of uncertainty, average energy, and thermodynamic quantities of the time dependent quantum system. (English) Zbl 1510.81063 J. Math. Chem. 60, No. 9, 1819-1839 (2022). MSC: 81Q05 35Q41 57R67 47A10 81S07 03E02 80A10 40A25 81Q60 PDFBibTeX XMLCite \textit{D. Nath}, J. Math. Chem. 60, No. 9, 1819--1839 (2022; Zbl 1510.81063) Full Text: DOI
Florindo, Caio César Ferreira; Papenfuss, Christina; Bassi, Adalberto Bono Maurizio Sacchi On the description of the microdomains within carbon fiber precursory mesophase pitch: a mesoscopic continuum approach. (English) Zbl 1500.74003 J. Math. Chem. 60, No. 9, 1800-1818 (2022). MSC: 74A60 74E15 PDFBibTeX XMLCite \textit{C. C. F. Florindo} et al., J. Math. Chem. 60, No. 9, 1800--1818 (2022; Zbl 1500.74003) Full Text: DOI
Kaźmierczak, Anna; Orpel, Aleksandra Positive solutions to the nonlinear reactor model by variational iteration method. (English) Zbl 1498.92351 J. Math. Chem. 60, No. 9, 1781-1799 (2022). MSC: 92E20 34B18 34A34 65L10 PDFBibTeX XMLCite \textit{A. Kaźmierczak} and \textit{A. Orpel}, J. Math. Chem. 60, No. 9, 1781--1799 (2022; Zbl 1498.92351) Full Text: DOI
Andersons, Tomass; Sawall, Mathias; Neymeyr, Klaus Analytical enclosure of the set of solutions of the three-species multivariate curve resolution problem. (English) Zbl 1496.92136 J. Math. Chem. 60, No. 9, 1750-1780 (2022). MSC: 92E20 PDFBibTeX XMLCite \textit{T. Andersons} et al., J. Math. Chem. 60, No. 9, 1750--1780 (2022; Zbl 1496.92136) Full Text: DOI
Jia, Ji-Teng; Wang, Jie; He, Qi; Yan, Yu-Cong A division-free algorithm for numerically evaluating the determinant of a specific quasi-tridiagonal matrix. (English) Zbl 1503.65081 J. Math. Chem. 60, No. 9, 1695-1706 (2022). MSC: 65F40 15A15 PDFBibTeX XMLCite \textit{J.-T. Jia} et al., J. Math. Chem. 60, No. 9, 1695--1706 (2022; Zbl 1503.65081) Full Text: DOI
Jia, Ji-Teng; Wang, Jie; Yuan, Ting-Feng; Zhang, Kai-Kai; Zhong, Bao-Ming An incomplete block-diagonalization approach for evaluating the determinants of bordered \(k\)-tridiagonal matrices. (English) Zbl 1505.65176 J. Math. Chem. 60, No. 8, 1658-1673 (2022). MSC: 65F40 15A04 15A15 65F50 PDFBibTeX XMLCite \textit{J.-T. Jia} et al., J. Math. Chem. 60, No. 8, 1658--1673 (2022; Zbl 1505.65176) 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 PDFBibTeX XMLCite \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 PDFBibTeX XMLCite \textit{B. Sun} et al., J. Math. Chem. 60, No. 8, 1480--1504 (2022; Zbl 1500.81031) Full Text: DOI
Laguna, Humberto G.; Salazar, Saúl J. C.; Sagar, Robin P. Information theoretical statistical discrimination measures for electronic densities. (English) Zbl 1500.81085 J. Math. Chem. 60, No. 7, 1422-1444 (2022). MSC: 81V45 62B10 94A15 94A17 28C20 93E24 37A10 PDFBibTeX XMLCite \textit{H. G. Laguna} et al., J. Math. Chem. 60, No. 7, 1422--1444 (2022; Zbl 1500.81085) Full Text: DOI
Medvedev, Maxim A.; Simos, T. E. A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. (English) Zbl 1498.81141 J. Math. Chem. 60, No. 7, 1383-1404 (2022). MSC: 81V55 81Q05 35B05 65L06 PDFBibTeX XMLCite \textit{M. A. Medvedev} and \textit{T. E. Simos}, J. Math. Chem. 60, No. 7, 1383--1404 (2022; Zbl 1498.81141) Full Text: DOI
Slevinsky, Richard M.; Safouhi, Hassan Compact formulae for three-center nuclear attraction integrals over exponential type functions. (English) Zbl 1498.81142 J. Math. Chem. 60, No. 7, 1337-1355 (2022). MSC: 81V55 92E10 22E27 33C10 PDFBibTeX XMLCite \textit{R. M. Slevinsky} and \textit{H. Safouhi}, J. Math. Chem. 60, No. 7, 1337--1355 (2022; Zbl 1498.81142) Full Text: DOI arXiv
Deswal, Komal; Kumar, Devendra; Vigo-Aguiar, J. Three-dimensional Haar wavelet method for singularly perturbed elliptic boundary value problems on non-uniform meshes. (English) Zbl 1501.65051 J. Math. Chem. 60, No. 7, 1314-1336 (2022). MSC: 65M12 65M50 65N22 65T60 35J25 35J75 35B25 PDFBibTeX XMLCite \textit{K. Deswal} et al., J. Math. Chem. 60, No. 7, 1314--1336 (2022; Zbl 1501.65051) Full Text: DOI
Serna-Reyes, Adán; Macías-Díaz, Jorge E.; Gallegos, Armando; Reguera, Nuria CMMSE: analysis and comparison of some numerical methods to solve a nonlinear fractional Gross-Pitaevskii system. (English) Zbl 1498.81147 J. Math. Chem. 60, No. 7, 1272-1286 (2022). MSC: 81V73 35A35 49M41 47A10 PDFBibTeX XMLCite \textit{A. Serna-Reyes} et al., J. Math. Chem. 60, No. 7, 1272--1286 (2022; Zbl 1498.81147) Full Text: DOI
Mandal, Bholanath; Klein, Douglas J. Dendrimer eigen-characteristics. (English) Zbl 1497.92366 J. Math. Chem. 60, No. 7, 1131-1162 (2022). MSC: 92E10 PDFBibTeX XMLCite \textit{B. Mandal} and \textit{D. J. Klein}, J. Math. Chem. 60, No. 7, 1131--1162 (2022; Zbl 1497.92366) Full Text: DOI
Chatterjee, Supriya On the exact revival of Morse oscillator wave packets. (English) Zbl 1496.81050 J. Math. Chem. 60, No. 5, 830-840 (2022). MSC: 81Q05 37D15 62M10 62G30 PDFBibTeX XMLCite \textit{S. Chatterjee}, J. Math. Chem. 60, No. 5, 830--840 (2022; Zbl 1496.81050) Full Text: DOI
Celebre, Giorgio Chiral symmetry breaking: Frank model for the evolution of homochirality described by population dynamics. (English) Zbl 1492.92025 J. Math. Chem. 60, No. 4, 681-694 (2022). MSC: 92C40 PDFBibTeX XMLCite \textit{G. Celebre}, J. Math. Chem. 60, No. 4, 681--694 (2022; Zbl 1492.92025) 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 PDFBibTeX XMLCite \textit{C.-L. Lin} and \textit{T. E. Simos}, J. Math. Chem. 60, No. 4, 637--665 (2022; Zbl 1496.81110) Full Text: DOI
Houjou, Hirohiko; Seshimo, Masataka Formulation of a phonon band calculation for molecular crystals using a coarse-grained coordinate approach under periodic boundary conditions. (English) Zbl 1496.82024 J. Math. Chem. 60, No. 4, 613-636 (2022). MSC: 82D25 82C20 81V55 74H45 PDFBibTeX XMLCite \textit{H. Houjou} and \textit{M. Seshimo}, J. Math. Chem. 60, No. 4, 613--636 (2022; Zbl 1496.82024) Full Text: DOI
Sun, Guo-Hua; Dong, Qian; Bezerra, V. B.; Dong, Shi-Hai Exact solutions of an asymmetric double well potential. (English) Zbl 1496.81055 J. Math. Chem. 60, No. 4, 605-612 (2022). MSC: 81Q05 34L40 34L16 33C15 81U15 PDFBibTeX XMLCite \textit{G.-H. Sun} et al., J. Math. Chem. 60, No. 4, 605--612 (2022; Zbl 1496.81055) Full Text: DOI
Kaya, Ruşen; Taşeli, Hasan A Rayleigh-Ritz method for numerical solutions of linear Fredholm integral equations of the second kind. (English) Zbl 1492.65363 J. Math. Chem. 60, No. 6, 1107-1129 (2022). MSC: 65R20 45A05 45B05 65L15 81Q05 PDFBibTeX XMLCite \textit{R. Kaya} and \textit{H. Taşeli}, J. Math. Chem. 60, No. 6, 1107--1129 (2022; Zbl 1492.65363) Full Text: DOI
Nath, Debraj; Carbó-Dorca, Ramon Analysis of solutions of time-dependent Schrödinger equation of a particle trapped in a spherical box. (English) Zbl 1496.81053 J. Math. Chem. 60, No. 6, 1089-1106 (2022). MSC: 81Q05 35Q41 52A55 35R37 47A10 62M10 PDFBibTeX XMLCite \textit{D. Nath} and \textit{R. Carbó-Dorca}, J. Math. Chem. 60, No. 6, 1089--1106 (2022; Zbl 1496.81053) Full Text: DOI
Chung, Wonsang; Kim, Yeounju; Kwon, Jeongmin Laplace transform method in one dimensional quantum mechanics on the semi infinite axis. (English) Zbl 1496.81051 J. Math. Chem. 60, No. 6, 1080-1088 (2022). MSC: 81Q05 34L40 44A10 46F10 PDFBibTeX XMLCite \textit{W. Chung} et al., J. Math. Chem. 60, No. 6, 1080--1088 (2022; Zbl 1496.81051) Full Text: DOI
Huang, Daniel; Teng, Chong; Bao, Junwei Lucas; Tristan, Jean-Baptiste mad-GP: automatic differentiation of Gaussian processes for molecules and materials. (English) Zbl 1491.92142 J. Math. Chem. 60, No. 6, 969-1000 (2022). MSC: 92E10 60G15 PDFBibTeX XMLCite \textit{D. Huang} et al., J. Math. Chem. 60, No. 6, 969--1000 (2022; Zbl 1491.92142) Full Text: DOI
Medvedeva, Marina A.; Simos, T. E. A multistep method with optimal phase and stability properties for problems in quantum chemistry. (English) Zbl 1492.65193 J. Math. Chem. 60, No. 6, 937-968 (2022). MSC: 65L05 65L06 81-08 81Q05 PDFBibTeX XMLCite \textit{M. A. Medvedeva} and \textit{T. E. Simos}, J. Math. Chem. 60, No. 6, 937--968 (2022; Zbl 1492.65193) Full Text: DOI
Generalov, Dmitry; Tsvetova, Ekaterina; Fedorov, Ruslan; Kovalnogov, Vladislav; Simos, T. E. A two-step singularly P-Stable method with high phase and large stability properties for problems in chemistry. (English) Zbl 1487.81083 J. Math. Chem. 60, No. 3, 475-501 (2022). MSC: 81Q05 65L05 35Q91 03H10 80A30 PDFBibTeX XMLCite \textit{D. Generalov} et al., J. Math. Chem. 60, No. 3, 475--501 (2022; Zbl 1487.81083) Full Text: DOI
Elías-Zúñiga, Alex; Martínez-Romero, Oscar; Trejo, Daniel Olvera; Palacios-Pineda, Luis Manuel Fractal equation of motion of a non-Gaussian polymer chain: investigating its dynamic fractal response using an ancient Chinese algorithm. (English) Zbl 1487.81157 J. Math. Chem. 60, No. 2, 461-473 (2022). MSC: 81V55 82C31 82C20 01A25 31C45 82D60 PDFBibTeX XMLCite \textit{A. Elías-Zúñiga} et al., J. Math. Chem. 60, No. 2, 461--473 (2022; Zbl 1487.81157) Full Text: DOI
Kouibia, Abdelouahed; Pasadas, Miguel Reconstruction approximating method by biquadratic splines of offset surfaces holes. (English) Zbl 1504.65030 J. Math. Chem. 60, No. 2, 423-439 (2022). MSC: 65D07 65D18 PDFBibTeX XMLCite \textit{A. Kouibia} and \textit{M. Pasadas}, J. Math. Chem. 60, No. 2, 423--439 (2022; Zbl 1504.65030) Full Text: DOI
Medvedeva, Marina A.; Simos, T. E. A two-step method singularly P-Stable with improved properties for problems in quantum chemistry. (English) Zbl 1487.81087 J. Math. Chem. 60, No. 2, 311-336 (2022). MSC: 81Q05 81V55 35B25 35Q91 91B84 PDFBibTeX XMLCite \textit{M. A. Medvedeva} and \textit{T. E. Simos}, J. Math. Chem. 60, No. 2, 311--336 (2022; Zbl 1487.81087) Full Text: DOI
Carbó-Dorca, Ramon Shadows’ hypercube, vector spaces, and non-linear optimization of QSPR procedures. (English) Zbl 1486.92335 J. Math. Chem. 60, No. 2, 283-310 (2022). MSC: 92E10 15A03 PDFBibTeX XMLCite \textit{R. Carbó-Dorca}, J. Math. Chem. 60, No. 2, 283--310 (2022; Zbl 1486.92335) Full Text: DOI
Mihálka, Zs. É.; Nooijen, M.; Margócsy, Á.; Szabados, Á.; Surján, P. R. The \(\gamma\) function in quantum theory. II: Mathematical challenges and paradoxa. (English) Zbl 1492.81089 J. Math. Chem. 60, No. 2, 267-282 (2022). MSC: 81V45 46F10 81Q20 34C10 47A10 PDFBibTeX XMLCite \textit{Zs. É. Mihálka} et al., J. Math. Chem. 60, No. 2, 267--282 (2022; Zbl 1492.81089) Full Text: DOI