T-5 operator in coupled cluster calculations

Citation
M. Musial et al., T-5 operator in coupled cluster calculations, CHEM P LETT, 320(5-6), 2000, pp. 542-548
Citations number
29
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
320
Issue
5-6
Year of publication
2000
Pages
542 - 548
Database
ISI
SICI code
0009-2614(20000414)320:5-6<542:TOICCC>2.0.ZU;2-S
Abstract
The first attempt to include the connected pentuple excitation, T-5, into t he coupled cluster method is reported. Construction of the lowest order, i. e. fourth-order T-5 operator requires an inclusion of eight diagrammatic te rms into the T-5 equation. The method is applied to several small systems f or which a comparison with full configuration interaction results can be ma de. (C) 2000 Elsevier Science B.V. All rights reserved.