Diagrammatic Coupled Cluster Monte Carlo

Scott, CJC; Di Remigio, R; Crawford, TD; Thom, AJW

Scott, CJC (reprint author), Univ Cambridge, Dept Chem, Cambridge CB2 1TN, England.; Di Remigio, R (reprint author), Univ Tromso, Dept Chem, Hylleraas Ctr Quantum Mol Sci, N-9037 Tromso, Norway.; Di Remigio, R (reprint author), Virginia Tech, Dept Chem, B

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019; 10 (5): 925

Abstract

We propose a modified coupled cluster Monte Carlo algorithm that stochastically samples connected terms within the truncated Baker-Campbell-Hausdorff ......

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