Exchange-only virial relation from the adiabatic connection
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 at . 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 -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 () involving the exchange-correlation potential , which exists by assumption of -representability. On the other hand, a local-exchange potential is not warranted to exist as such a limit.
Cite
@article{arxiv.2310.19144,
title = {Exchange-only virial relation from the adiabatic connection},
author = {Andre Laestadius and Mihály A. Csirik and Markus Penz and Nicolas Tancogne-Dejean and Michael Ruggenthaler and Angel Rubio and Trygve Helgaker},
journal= {arXiv preprint arXiv:2310.19144},
year = {2024}
}