On the Use of Connected Moments Expansion with Coupled Cluster Reference

Abstract

We examine the possibility of introducing a new class of so called noniterative corrections to coupled cluster energies, based on the connected moments expansion (CMX). Approximate Coupled Cluster (CC) wave functions are used as reference states and then the “improved energies” can be formally obtained either by CMX in terms of the moments of CC similarity… (More)

Topics

3 Figures and Tables

Slides referencing similar topics