0181304 - UFCH-W 20010227 RIV US eng J - Journal Article
Piecuch, P. - Kucharski, S. A. - Špirko, Vladimír - Kowalski, K.
Can Ordinary Single-Reference Coupled-Cluster Methods Describe Potential Energy Surfaces with Nearly Spectroscopic Accuracy? The Renormalized Coupled-Cluster Study of the Vibrational Spectrum of HF.
Journal of Chemical Physics. Roč. 115, č. 13 (2001), s. 5796-5804. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : quadruply excited clusters * full CCSDT model * molecular electronic-structure
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.147, year: 2001

The renormalized (R) and completely renormalized (CR) CCSD(T) and CCSD(TQ) methods have been used to obtain the potential energy function and the vibrational spectrum of the HF molecule.
Permanent Link: http://hdl.handle.net/11104/0077886