Computing the Anharmonic Vibrational Spectrum of UF6 in 15 Dimensions with an Optimized Basis Set and Rectangular Collocation

Journal of Physical Chemistry A

Volumn 119, Issue 36, 2015, Pages 9557-9567

  Manzhos, Sergei ^a   Carrington, Tucker ^b   Laverdure, Laura ^b   Mosey, Nicholas ^b  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b QUEEN S UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONS; POLYNOMIALS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; VIBRATIONAL SPECTRA;

ANHARMONICITIES; COLLOCATION ALGORITHMS; DINGER EQUATION; FITTING PARAMETERS; HERMITE POLYNOMIALS; NODAL STRUCTURES; NORMAL COORDINATE; VIBRATIONAL TRANSITIONS;

URANIUM COMPOUNDS;

EID: 84941236788     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b07627     Document Type: Article

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