Open AccessForces from Stochastic Density Functional Theory under Nonorthogonal Atom-Centered Basis Sets
Author(s) -
Ben Shpiro,
Marcel David Fabian,
Eran Rabani,
Roi Baer
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.1c00794
Subject(s) - statistical physics , scaling , density functional theory , basis (linear algebra) , formalism (music) , linear scale , representation (politics) , basis set , physics , zipper , atom (system on chip) , chemistry , computational chemistry , mathematics , computer science , algorithm , geometry , art , musical , geodesy , politics , political science , law , visual arts , embedded system , geography