Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory

Journal of Chemical Physics

Volumn 132, Issue 2, 2010, Pages

  Yanai, Takeshi ^a   Kurashige, Yuki ^a   Neuscamman, Eric ^b   Chan, Garnet Kin Lic ^b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b Department of Obstetrics Gynecology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; ATOMIC ORBITAL; ATOMIC-ORBITAL BASIS; BENCHMARK SYSTEM; CANONICAL TRANSFORMATION; COMPLETE ACTIVE SPACE; CORRELATION ENERGY; DENSITY MATRIX RENORMALIZATION GROUP; DYNAMIC CORRELATION; HIGH-ORDER; JOINT DENSITIES; MULTI REFERENCE;

ATOMS; ISOMERIZATION; ORGANIC COMPOUNDS; QUANTUM CHEMISTRY; STATISTICAL MECHANICS;

QUANTUM THEORY;

EID: 74549188076     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3275806     Document Type: Article

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