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Journal of Molecular Structure: THEOCHEM

Volumn 547, Issue 1-3, 2001, Pages 83-96

A critical comparison of theoretical and experimental electronic spectrum and potential energy curves of HF molecule and its positive and negative ions

(4) Chaudhuri, Rajat K a Freed, Karl F a Abrash, Samuel A b Potts, Davin M a

a UNIVERSITY OF CHICAGO (United States)

b UNIVERSITY OF RICHMOND (United States)

Author keywords

CASSCF; CCSD(T); CIS; GVB CI; H3rdv; iCAS CI; iCAS CI + Q; IVO CASCI; MBPT; MCSCF; MRDCI; PNO CI; SCF

Indexed keywords

HYDROFLUORIC ACID;

ACCURACY; ANALYTIC METHOD; ARTICLE; CALCULATION; ENERGY; MOLECULAR DYNAMICS; STRUCTURE ANALYSIS; THEORY;

EID: 0035939381 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00461-4 Document Type: Article

Times cited : (18)

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