A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties-Reference-Cited by-同舟云学术

A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties

Published:2008-05-07 Issue:17 Volume:128 Page:174106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Hansen Mikkel Bo,Christiansen Ove,Toffoli Daniele,Kongsted Jacob

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2912184

Reference42 articles.

1. Molecular Electronic-Structure Theory

2. A comparative analysis of two methods for the calculation of electric‐field‐induced perturbations to molecular vibration

3. Effect of vibration and rotation on the internuclear distance

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