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

Name: 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
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Piecuch, P.; Kucharski, S. A.; Špirko, Vladimír; Kowalski, K.

Počet záznamů: 1

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

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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
Trvalý link: http://hdl.handle.net/11104/0077886

Počet záznamů: 1