Gradients for the Similarity Transformed Equation-of-motion Coupled-cluster Method

Gwaltney, S. R., Bartlett, R. J., & Nooijen, M. (1999). Gradients for the Similarity Transformed Equation-of-motion Coupled-cluster Method. Journal of Chemical Physics. 111, 58-64.

Abstract

A derivation of gradients for the similarity transformed equation-of-motion coupled-cluster singles and doubles method is presented. Algebraic operator equations for all of the terms which appear in the equations are given, with a discussion about the procedure for solving the equations