Gradients for the similarity transformed equation-of-motion coupled-cluster method

Authors
Gwaltney, SR Bartlett, RJ Nooijen, M
Citation
Sr. Gwaltney et al., Gradients for the similarity transformed equation-of-motion coupled-cluster method, J CHEM PHYS, 111(1), 1999, pp. 58-64
Citations number
48
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
1
Year of publication
1999
Pages
58 - 64
Database
ISI
SICI code
0021-9606(19990701)111:1<58:GFTSTE>2.0.ZU;2-L
Abstract
A derivation of gradients for the similarity transformed equation-of-motion coupled-cluster singles and doubles method is presented. Algebraic operato r equations for all of the terms which appear in the equations are given, w ith a discussion about the procedure for solving the equations. (C) 1999 Am erican Institute of Physics. [S0021-9606(99)30722-4].