Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function

Journal of Chemical Physics

Volumn 139, Issue 4, 2013, Pages

  Saitow, Masaaki ^a   Kurashige, Yuki ^b   Yanai, Takeshi ^b  

^a GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARK APPLICATIONS; DENSITY MATRIX RENORMALIZATION GROUP; HAMILTONIAN MATRIX; HAMILTONIAN MATRIX ELEMENTS; HIGH-LEVEL DYNAMICS; MULTI REFERENCE CONFIGURATION INTERACTIONS; PARALLEL COMPUTER; REDUCED-DENSITY MATRIX;

BAND STRUCTURE; HAMILTONIANS; QUANTUM CHEMISTRY; STATISTICAL MECHANICS;

QUANTUM THEORY;

EID: 84903362153     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4816627     Document Type: Article

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