0181304 - UFCH-W 20010227 RIV US eng J - Článek v odborném periodiku
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
Grant CEP: GA MŠMT LN00A032
Výzkumný záměr: CEZ:AV0Z4040901
Klíčová slova: quadruply excited clusters * full CCSDT model * molecular electronic-structure
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 3.147, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0077886