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  • Correlation energy of the uniform electron gas determined by ground-state conditional probability density functional theory
Title: Correlation energy of the uniform electron gas determined by ground-state conditional probability density functional theory
Conditional-probability density functional theory (CP-DFT) is a formally exact method for finding correlation energies from Kohn-Sham DFT without evaluating an explicit energy functional. We present details on how to generate accurate exchange-correlation energies for the ground-state uniform gas. We also use the exchange hole in a CP antiparallel spin calculation to extract the high-density limit. We give a highly accurate analytic solution to the Thomas-Fermi model for this problem, showing its performance relative to Kohn-Sham and it may be useful at high temperatures. We explore several approximations to the CP potential. Results are compared to accurate parametrizations for both exchange-correlation energies and holes.  more » « less
Award ID(s):
1856165
PAR ID:
10332747
Author(s) / Creator(s):
; ;
Date Published:
Journal Name:
Physical review
ISSN:
2470-0010
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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