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- W3128473452 abstract "A key goal in quantum chemistry methods, whether ab initio or otherwise, is to achieve size consistency. In this work we formulate the related idea of Casimir-Polder size that manifests in long-range dispersion energetics. We show that local approximations in time-dependent density functional theory dispersion energy calculations violate the consistency condition because of incorrect treatment of highly nonlocal xc kernel physics, by up to 10% in our tests on closed-shell atoms." @default.
- W3128473452 created "2021-02-15" @default.
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- W3128473452 date "2018-01-01" @default.
- W3128473452 modified "2023-10-06" @default.
- W3128473452 title "Casimir Polder size consistency: a constraint violated by some dispersion theories" @default.
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