Symmetry breaking in spin-restricted, open-shell hartree-fock wave functions

International Journal of Quantum Chemistry

Volumn 109, Issue 8, 2009, Pages 1756-1765

  Li, Xiangzhu ^a   Paldus, Josef ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

Broken symmetry solutions; Hartree fock stability conditions; Oxygen and boron molecule ground state; Symmetry breaking

Indexed keywords

BROKEN-SYMMETRY SOLUTIONS; COUPLED-CLUSTER THEORY; EQUILIBRIUM GEOMETRIES; HARTREE-FOCK; HARTREE-FOCK STABILITY CONDITIONS; HARTREE-FOCK WAVE FUNCTION; INTERMOLECULAR SEPARATIONS; OPEN-SHELL; OPEN-SHELL SYSTEMS; STABILITY CONDITION; SYMMETRY-BREAKING; UNITARY GROUP;

BORON; BORON COMPOUNDS; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR ELECTRONICS; OXYGEN; SPIN DYNAMICS; SURFACE STRUCTURE; SYSTEM STABILITY;

MOLECULES;

EID: 65149091542     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22098     Document Type: Article

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