Potential energy curve for isomerization of N2 H2 and C2 H4 using the improved virtual orbital multireference Møller-Plesset perturbation theory

Journal of Chemical Physics

Volumn 128, Issue 14, 2008, Pages

  Chaudhuri, Rajat K ^a   Freed, Karl F ^b   Chattopadhyay, Sudip ^c   Sinha Mahapatra, Uttam ^d  

^a INDIAN INSTITUTE OF ASTROPHYSICS   (India)

^b UNIVERSITY OF CHICAGO   (United States)

^c INDIAN INSTITUTE OF ENGINEERING SCIENCE AND TECHNOLOGY   (India)

^d TAKI GOVERNMENT COLLEGE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CURVE FITTING; DISSOCIATION; ISOMERIZATION; MOLECULAR ORBITALS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY FUNCTIONS; VIRTUAL REALITY;

MULTICONFIGURATION SELF CONSISTENT FIELD METHODS; PERTURBATION THEORY; REFERENCE FUNCTIONS; VIRTUAL ORBITALS;

MOLECULAR DYNAMICS;

EID: 42149179840     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2837662     Document Type: Article

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