Spin-adapted density matrix renormalization group algorithms for quantum chemistry

Journal of Chemical Physics

Volumn 136, Issue 12, 2012, Pages

  Sharma, Sandeep ^a   Chan, Garnet Kin Lic ^a  

^a Department of Molecular Biology and Genetics   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACE MODELS; BENCHMARK CALCULATIONS; COMPLEX TRANSITIONS; COMPUTATIONAL COSTS; DENSITY MATRIX; DENSITY MATRIX RENORMALIZATION GROUP; EFFICIENT ALGORITHM; HIGH SPIN STATE; ORBITALS; QUANTUM CHEMICAL; SPIN CORRELATION FUNCTIONS; SPIN STATE; TRANSITION METAL SYSTEM;

ALGORITHMS; CHROMIUM; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; QUANTUM CHEMISTRY; QUANTUM THEORY; SPIN DYNAMICS; STATISTICAL MECHANICS; SULFUR; TRANSITION METALS;

MATRIX ALGEBRA;

EID: 84859519889     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3695642     Document Type: Article

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