G-tensor and hyperfine splitting of Cl2- O 2- N2- defect centers in KCl from DFT calculations

Modelling and Simulation in Materials Science and Engineering

Volumn 17, Issue 8, 2009, Pages

  Di Valentin, Cristiana ^a   Pacchioni, Gianfranco ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER MODELS; DEFECT CENTERS; DFT CALCULATION; ELECTRON PARAMAGNETIC RESONANCE; EPR PARAMETERS; HYBRID EXCHANGE; HYPERFINE SPLITTINGS; LARGE DEVIATIONS; PARAMAGNETIC CENTERS; POINT CHARGE; SINGLY OCCUPIED MOLECULAR ORBITALS;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRON RESONANCE; ELECTRON SPIN RESONANCE SPECTROSCOPY; FLUORINE CONTAINING POLYMERS; MOLECULAR ORBITALS; PARAMAGNETIC MATERIALS; PARAMAGNETIC RESONANCE; PARAMAGNETISM; QUANTUM THEORY; SULFUR COMPOUNDS;

TENSORS;

EID: 70949095994     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/17/8/084005     Document Type: Article

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