Potential energy surface studies via a single root multireference coupled cluster theory

Journal of Chemical Physics

Volumn 133, Issue 7, 2010, Pages

  Mahapatra, Uttam Sinha ^a   Chattopadhyay, Sudip ^b  

^a TAKI GOVERNMENT COLLEGE   (India)

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

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER OPERATOR; COMPLETE ACTIVE SPACE; COUPLED CLUSTERS; COUPLED-CLUSTER METHODS; COUPLED-CLUSTER THEORY; DIVERGENCE PROBLEMS; EFFECTIVE HAMILTONIAN; EXCITED SINGLET STATE; EXTENSIVITY; INTRUDER STATE; ITERATIVE SOLUTIONS; LOCALIZED ORBITALS; MODEL FUNCTIONS; MULTI REFERENCE; THEORETICAL ESTIMATION;

CLUSTER ANALYSIS; MATHEMATICAL OPERATORS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE PHENOMENA;

EQUATIONS OF STATE;

EID: 77956070086     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3467899     Document Type: Article

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