Libxc swMATH ID: 6863 Software Authors: Miguel A. L. Marques, Micael J. T. Oliveira, Tobias Burnus Description: Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by all the ETSF codes and also other codes. In libxc you can find different types of functionals: LDA, GGA, hybrids, mGGA (experimental) and LCA (not working). These functionals depend on local information, in the sense that the value of the potential at a given point depends only on the values of the density – and the gradient of the density and the kinetic energy density, for the GGA and mGGA cases, or the vorticity for LCA – at a given point Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc Source Code: https://github.com/ElsevierSoftwareX/SOFTX-D-17-00051 Keywords: library; ETSF codes Related Software: ABINIT; Gmsh; OCTOPUS; lobpcg.m; WIEN2k; Quantum Espresso; APE; CheFSI; KSSOLV; BLOPEX; BigDFT; NWChem; GAUSSIAN; DFT-FE; ClusterES; ISOGAT; Dftatom; libvdwxc; Maple; CTaylor Cited in: 12 Publications Standard Articles 1 Publication describing the Software Year all top 5 Cited by 22 Authors 5 Hu, Guanghui 3 Kuang, Yang 2 Bao, Gang 2 Gavini, Vikram 2 Liu, Di 2 Temizer, Ilker 1 Borzì, Alfio 1 Braun, Moritz 1 Ciaramella, Gabriele 1 Davydov, Denis 1 Gao, Bin 1 Herbst, Michael F. 1 Krasny, Robert 1 Levitt, Antoine 1 Liu, Xin 1 Motamarri, Phani 1 Obodo, Kingsley O. 1 Shen, Yedan 1 Sprengel, Martin 1 Steinmann, Paul 1 Vaughn, Nathan 1 Young, Toby D. all top 5 Cited in 8 Serials 4 Journal of Computational Physics 2 Journal of Scientific Computing 1 Computers & Mathematics with Applications 1 Computer Methods in Applied Mechanics and Engineering 1 International Journal for Numerical Methods in Engineering 1 SIAM Journal on Scientific Computing 1 Journal of Dynamical and Control Systems 1 Communications in Computational Physics all top 5 Cited in 8 Fields 10 Numerical analysis (65-XX) 5 Partial differential equations (35-XX) 4 Statistical mechanics, structure of matter (82-XX) 2 Calculus of variations and optimal control; optimization (49-XX) 2 Quantum theory (81-XX) 1 Optics, electromagnetic theory (78-XX) 1 Operations research, mathematical programming (90-XX) 1 Biology and other natural sciences (92-XX) Citations by Year