Communication: Active-space decomposition for molecular dimers

Journal of Chemical Physics

Volumn 139, Issue 2, 2013, Pages

  Parker, Shane M ^a   Seideman, Tamar ^a   Ratner, Mark A ^a   Shiozaki, Toru ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC STATE; COMPLETE ACTIVE SPACE; DECOMPOSITION STRATEGY; EFFICIENT COMPUTATION; HAMILTONIAN MATRIX; HAMILTONIAN MATRIX ELEMENTS; LINEAR COMBINATIONS; MOLECULAR DIMERS;

HAMILTONIANS; MONOMERS; NAPHTHALENE;

DIMERS;

EID: 84903362767     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4813827     Document Type: Article

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