Open AccessJahn-Teller effect in density-functional theory
Author(s) -
Mark C. Palenik,
Brett I. Dunlap,
Daniel Gunlycke
Publication year - 2019
Publication title -
physical review. a/physical review, a
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.391
H-Index - 283
eISSN - 2469-9934
pISSN - 2469-9926
DOI - 10.1103/physreva.99.022502
Subject(s) - jahn–teller effect , degenerate energy levels , physics , density functional theory , perturbation theory (quantum mechanics) , open shell , kohn–sham equations , symmetry (geometry) , electron , quantum mechanics , mathematics , ion , geometry