The evaluation of spin-density matrices within the graphically contracted function method

International Journal of Quantum Chemistry

Volumn 109, Issue 15, 2009, Pages 3552-3563

  Gidofalvi, Gergely ^a   Shepard, Ron ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Graphical unitary group approach (GUGA); Graphically contracted function (GCF); Spin density

Indexed keywords

ARBITRARY SPIN; CONTRACTED FUNCTIONS; EFFICIENT ALGORITHM; ELECTRONIC WAVE FUNCTIONS; EXCITED ELECTRONIC STATE; GRAPHICAL UNITARY GROUP APPROACH; NUMBER OF ELECTRONS; ORBITAL BASIS; ORBITALS; PARTICLE CHARGE; RECURSIVE ALGORITHMS; SCALE FACTOR; SLATER DETERMINANTS; SPIN DENSITIES;

ALGORITHMS; BIOLOGY; LIGHT POLARIZATION; MATRIX ALGEBRA; WAVE FUNCTIONS;

SPIN DYNAMICS;

EID: 70449352133     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22320     Document Type: Conference Paper

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