An efficient method for energy levels calculation using full symmetry and exact kinetic energy operator: Tetrahedral molecules

Journal of Chemical Physics

Volumn 142, Issue 9, 2015, Pages

  Nikitin, A V ^a,b   Rey, M ^c   Tyuterev, Vl G ^c  

^a V E ZUEV INSTITUTE OF ATMOSPHERIC OPTICS   (Russian Federation)

^b TOMSK STATE UNIVERSITY   (Russian Federation)

^c UNIVERSITÉ DE REIMS CHAMPAGNE ARDENNE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

KINETIC ENERGY; KINETICS; MATRIX ALGEBRA; MOLECULES; POTENTIAL ENERGY; QUANTUM CHEMISTRY; VARIATIONAL TECHNIQUES;

ACCURATE PREDICTION; ITERATIVE OPTIMIZATION; KINETIC-ENERGY OPERATOR; RECURSIVE ALGORITHMS; TENSORIAL FORMALISM; TETRAHEDRAL MOLECULES; VARIATIONAL CALCULATION; VIBRATIONAL CALCULATIONS;

ITERATIVE METHODS;

EID: 84924362816     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4913520     Document Type: Article

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