First-principles calculations of parameters of electron-vibrational interaction and estimations of Jahn-Teller stabilization energy for Cr3+ ion in elpasolites

Journal of Molecular Structure

Volumn 838, Issue 1-3, 2007, Pages 193-197

  Brik, M G ^a   Avram, N M ^b  

^a KYOTO UNIVERSITY   (Japan)

^b WEST UNIVERSITY OF TIMISOARA   (Romania)

Author keywords

Crystal and ligand fields; Jahn Teller effect; Numerical simulation; Relativistic effects; Spin orbit coupling; Theory models; Zeeman and Stark splitting

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTALS; MOLECULAR ORBITALS; MOLECULAR VIBRATIONS; PARAMETER ESTIMATION; POSITIVE IONS; RELATIVITY;

ELPASOLITES; JAHN-TELLER EFFECTS; RELATIVISTIC EFFECTS; SPIN-ORBIT COUPLING; ZEEMAN AND STARK SPLITTING;

CHROMIUM;

EID: 34249324438     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.12.054     Document Type: Article

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