Using Nested Contractions and a Hierarchical Tensor Format to Compute Vibrational Spectra of Molecules with Seven Atoms

Journal of Physical Chemistry A

Volumn 119, Issue 52, 2015, Pages 13074-13091

  Thomas, Phillip S ^a   Carrington, Tucker ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; COMPUTATIONAL EFFICIENCY; EIGENVALUES AND EIGENFUNCTIONS; ETHYLENE; MOLECULES; OSCILLATORS (MECHANICAL); TENSORS; VIBRATIONAL SPECTRA; WAVE FUNCTIONS;

COUPLED OSCILLATORS; DINGER EQUATION; ETHYLENE OXIDES; HIERARCHICAL TENSORS; POWER METHOD; REDUCED RANK; SINGLE PROCESSORS;

HAMILTONIANS;

EID: 84953333616     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b10015     Document Type: Article

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