Projection-Based Wavefunction-in-DFT Embedding

Lee, SJR; Welborn, M; Manby, FR; Miller, TF

Miller, TF (reprint author), CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA.

ACCOUNTS OF CHEMICAL RESEARCH, 2019; 52 (5): 1359

Abstract

CONSPECTUS: Complex chemical systems present challenges to electronic structure theory stemming from large system sizes, subtle interactions, coupled ......

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