 Award ID(s):
 1900338
 NSFPAR ID:
 10465833
 Date Published:
 Journal Name:
 The Journal of Chemical Physics
 Volume:
 156
 Issue:
 17
 ISSN:
 00219606
 Format(s):
 Medium: X
 Sponsoring Org:
 National Science Foundation
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Conditionalprobability density functional theory (CPDFT) is a formally exact method for finding correlation energies from KohnSham DFT without evaluating an explicit energy functional. We present details on how to generate accurate exchangecorrelation energies for the groundstate uniform gas. We also use the exchange hole in a CP antiparallel spin calculation to extract the highdensity limit. We give a highly accurate analytic solution to the ThomasFermi model for this problem, showing its performance relative to KohnSham and it may be useful at high temperatures. We explore several approximations to the CP potential. Results are compared to accurate parametrizations for both exchangecorrelation energies and holes.more » « less

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