Solving Coupled Cluster Equations by the Newton Krylov Method

Yang, C; Brabec, J; Veis, L; Williams-Young, DB; Kowalski, K

Yang, C (corresponding author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.

FRONTIERS IN CHEMISTRY, 2020; 8 ():

Abstract

We describe using the Newton Krylov method to solve the coupled cluster equation. The method uses a Krylov iterative method to compute the Newton corr......

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