Higher order singular value decomposition in quantum chemistry

Molecular Physics

Volumn 108, Issue 19-20, 2010, Pages 2759-2773

  Bell, F ^a,b   Lambrecht, D S ^a   Head Gordon, M ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

active spaces; higher order sigular value decomposition; natural orbitals; reduced rank separability

Indexed keywords

ACTIVE SPACES; CORRELATION ENERGY; FASTER CONVERGENCE; HARTREE-FOCK ORBITALS; HIGHER ORDER; HIGHER ORDER SINGULAR VALUE DECOMPOSITION; HIGHEST OCCUPIED MOLECULAR ORBITAL; LEAST SQUARE; LOWEST UNOCCUPIED MOLECULAR ORBITAL; NATURAL ORBITALS; ORBITAL SPACE; ORBITALS; ORTHOGONAL ITERATION; REDUCED RANK; SECOND ORDERS; THEORY CALCULATION; VIRTUAL ORBITALS;

ELECTRON ENERGY LEVELS; MOLECULAR MODELING; MOLECULAR ORBITALS; QUANTUM THEORY;

SINGULAR VALUE DECOMPOSITION;

EID: 78449306103     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.523713     Document Type: Conference Paper

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