Open AccessNon-empirical, low-cost recovery of exact conditions with model-Hamiltonian inspired expressions in jmDFT
Author(s) -
Akash Bajaj,
Fang Liu,
Heather J. Kulik
Publication year - 2019
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5091563
Subject(s) - hamiltonian (control theory) , delocalized electron , eigenvalues and eigenvectors , physics , density functional theory , statistical physics , limit (mathematics) , electron , quantum mechanics , angular momentum , mathematics , mathematical analysis , mathematical optimization