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Volumn 115, Issue 13, 2001, Pages 5796-5804

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

(4) Piecuch, Piotr a Kucharski, Stanisław A b Špirko, Vladimir c Kowalski, Karol a

a MICHIGAN STATE UNIVERSITY (United States)

b UNIVERSITY OF SILESIA (Poland)

c J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; DISSOCIATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; MOLECULAR VIBRATIONS; MOLECULES; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; SPECTRUM ANALYSIS;

COUPLED CLUSTER METHODS; HIGH LYING STATES; POLYATOMICS; SINGLE REFERENCE COUPLED CLUSTER METHOD; VIBRATIONAL ENERGIES;

NUMERICAL METHODS;

EID: 0035475601 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1400140 Document Type: Article

Times cited : (58)

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