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.

Number of the records: 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

1.

SYSNO	0181304
Title	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
Author(s)	Piecuch, P. (US) Kucharski, S. A. (PL) Špirko, Vladimír (UFCH-W) Kowalski, K. (US)
Source Title	Journal of Chemical Physics. Roč. 115, č. 13 (2001), s. 5796-5804. - : AIP Publishing
Document Type	Článek v odborném periodiku
Grant	LN00A032 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z4040901 - UFCH-W
Language	eng
Country	US
Keywords	quadruply excited clusters * full CCSDT model * molecular electronic-structure
Permanent Link	http://hdl.handle.net/11104/0077886

Number of the records: 1