Virial relations in density embedding

Jiang, KL; Mosquera, MA; Oueis, Y; Wasserman, A

Wasserman, A (corresponding author), Purdue Univ, Dept Chem, 560 Oval Dr, W Lafayette, IN 47907 USA.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2020; 120 (21):

Abstract

The accuracy of charge-transfer excitation energies, solvatochromic shifts, and other environmental effects calculated via various density-embedding t......

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