Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes

Journal of Chemical Physics

Volumn 148, Issue 8, 2018, Pages

  Krasnoshchekov, Sergey V ^a   Schutski, Roman S ^b   Craig, Norman C ^c   Sibaev, Marat ^d   Crittenden, Deborah L ^e  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b RICE UNIVERSITY   (United States)

^c OBERLIN COLLEGE   (United States)

^d AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^e UNIVERSITY OF CANTERBURY   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

DICHLOROMETHANE; ELECTRONIC STRUCTURE; HARMONIC ANALYSIS; MOLECULAR VIBRATIONS; OSCILLATORS (MECHANICAL); PERTURBATION TECHNIQUES; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY; VARIATIONAL TECHNIQUES;

FUNDAMENTAL FREQUENCIES; HARMONIC FORCE CONSTANT; HARMONIC OSCILLATORS; QUARTIC FORCE FIELDS; VARIATIONAL CALCULATION; VIBRATIONAL CONFIGURATION-INTERACTION; VIBRATIONAL EXCITATION; VIBRATIONAL PERTURBATION THEORY;

CHLORINE COMPOUNDS;

EID: 85042670648     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.5020295     Document Type: Article

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