Communication: Application of state-specific multireference coupled cluster methods to core-level excitations

Journal of Chemical Physics

Volumn 137, Issue 17, 2012, Pages

  Brabec, Jirí ^a   Bhaskaran Nair, Kiran ^b   Govind, Niranjan ^b   Pittner, Jirí ^a   Kowalski, Karol ^b  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX CORRELATION; CORE LEVEL EXCITATION; COUPLED CLUSTERS; COUPLED-CLUSTER METHODS; DOUBLE EXCITATIONS; HARTREE-FOCK ORBITALS; MODEL SPACES; MULTI REFERENCE;

ITERATIVE METHODS;

NUMERICAL METHODS;

EID: 84868672806     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4764355     Document Type: Article

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