Computer package for microscopic spin Hamiltonian analysis of the 3d4 and 3d6 (spin S = 2) ions at orthorhombic and tetragonal symmetry sites

Computers and Chemistry

Volumn 21, Issue 1, 1997, Pages 45-50

  Rudowicz, Czeslaw ^a   Zhou, Yi Yang ^b  

^a CITY UNIVERSITY OF HONG KONG   (Hong Kong)

^b SICHUAN NORMAL UNIVERSITY   (China)

Author keywords

Crystal fields; Electron paramagnetic resonance (EPR); Spin Hamiltonian parameters; Zero field splitting

Indexed keywords

ALGEBRA; APPROXIMATION THEORY; CALCULATIONS; COMPUTER AIDED ANALYSIS; CRYSTAL SYMMETRY; ELECTRON ENERGY LEVELS; FORTRAN (PROGRAMMING LANGUAGE); IONS; NUMERICAL METHODS; PARAMAGNETIC RESONANCE; PERTURBATION TECHNIQUES;

COMPUTER ALGEBRA; CRYSTAL FIELDS; ELECTRON PARAMAGNETIC RESONANCE; GROUND ORBITAL SINGLET; MICROSCOPIC SPIN HAMILTONIAN ANALYSIS; ORTHORHOMBIC SYMMETRY; TETRAGONAL SYMMETRY; ZEEMAN ELECTRONIC PARAMETER; ZERO FIELD SPLITTING PARAMETER;

COMPUTER SOFTWARE;

EID: 0030816959     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(96)00013-7     Document Type: Article

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