Ontology highlight
ABSTRACT:
SUBMITTER: Perdew JP
PROVIDER: S-EPMC7848740 | biostudies-literature | 2021 Jan
REPOSITORIES: biostudies-literature
Proceedings of the National Academy of Sciences of the United States of America 20210101 4
Strong correlations within a symmetry-unbroken ground-state wavefunction can show up in approximate density functional theory as symmetry-broken spin densities or total densities, which are sometimes observable. They can arise from soft modes of fluctuations (sometimes collective excitations) such as spin-density or charge-density waves at nonzero wavevector. In this sense, an approximate density functional for exchange and correlation that breaks symmetry can be more revealing (albeit less accu ...[more]