On the convergence of the coupled-cluster sequence: the H-8 model

Authors
Surjan, PR Kallay, M
Citation
Pr. Surjan et M. Kallay, On the convergence of the coupled-cluster sequence: the H-8 model, J MOL ST-TH, 547, 2001, pp. 145-151
Citations number
25
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
547
Year of publication
2001
Pages
145 - 151
Database
ISI
SICI code
0166-1280(20010723)547:<145:OTCOTC>2.0.ZU;2-M
Abstract
A recently elaborated algorithm [J. Chem. Phys. 113 (2000) 1359] is applied to calculate coupled-cluster wave functions and energies for every excitat ion levels ranging from CCSD to full CC for the model system of eight hydro gen atoms. (C) 2001 Elsevier Science B.V. All rights reserved.