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Exchange-only virial relation from the adiabatic connection.
- Source :
- Journal of Chemical Physics; 2/28/2024, Vol. 160 Issue 8, p1-7, 7p
- Publication Year :
- 2024
-
Abstract
- The exchange-only virial relation due to Levy and Perdew is revisited. Invoking the adiabatic connection, we introduce the exchange energy in terms of the right-derivative of the universal density functional w.r.t. the coupling strength λ at λ = 0. This agrees with the Levy–Perdew definition of the exchange energy as a high-density limit of the full exchange–correlation energy. By relying on v-representability for a fixed density at varying coupling strength, we prove an exchange-only virial relation without an explicit local-exchange potential. Instead, the relation is in terms of a limit (λ ↘ 0) involving the exchange–correlation potential v x c λ , which exists by assumption of v-representability. On the other hand, a local-exchange potential v<subscript>x</subscript> is not warranted to exist as such a limit. [ABSTRACT FROM AUTHOR]
- Subjects :
- DENSITY
DEFINITIONS
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 160
- Issue :
- 8
- Database :
- Complementary Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 175757123
- Full Text :
- https://doi.org/10.1063/5.0184934