Optical properties of peroxy radicals in silica: Multiconfigurational perturbation theory calculations

Journal of Chemical Physics

Volumn 114, Issue 14, 2001, Pages 6259-6264

  Sousa, Carmen ^a   De Graaf, Coen ^a   Pacchioni, Gianfranco ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b Istituto Nazionale per la Fisica della Materia Milan   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CALCULATIONS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; EMISSION SPECTROSCOPY; MATHEMATICAL MODELS; OPTICAL PROPERTIES; PERTURBATION TECHNIQUES; POINT DEFECTS; QUANTUM THEORY;

EXCITED STATE; MULTICONFIGURATIONAL PERTURBATION THEORY; PARAMAGNETIC DEFECT; PEROXY RADICALS; QUANTUM CHEMICAL CALCULATION;

SILICA;

EID: 0035826487     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1355986     Document Type: Article

References (58)