FCIQMC-Tailored Distinguishable Cluster Approach

Vitale, E; Alavi, A; Kats, D

Vitale, E; Alavi, A; Kats, D (corresponding author), Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020; 16 (9): 5621

Abstract

The tailored approach is applied to the distinguishable cluster method together with a stochastic FCI solver (FCIQMC). It is demonstrated that the new......

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