Anharmonic vibrational computations with a quartic force field for curvilinear coordinates-Reference-Cited by-同舟云学术

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Anharmonic vibrational computations with a quartic force field for curvilinear coordinates

Published:2019-08-14 Issue:6 Volume:151 Page:064104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Harabuchi Yu¹,Tani Ryosuke¹,De Silva Nuwan²,Njegic Bosiljka³,Gordon Mark S.³,Taketsugu Tetsuya¹⁴^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810, Japan

2. Department of Physical and Biological Sciences, Western New England University, Springfield, Massachusetts 01119, USA

3. Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA

4. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo 001-0021, Japan

Funder

National Science Foundation

Japan Society for the Promotion of Science

Precursory Research for Embryonic Science and Technology

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5096167

Reference63 articles.

1. Self‐consistent field energies and wavefunctions for coupled oscillators

2. A semiclassical self-consistent field (SC SCF) approximation for eigenvalues of coupled-vibration systems

3. The self-consistent-field approach to polyatomic vibrations

4. First principles computation of thermochemical properties beyond the harmonic approximation. II. Application to the amino radical NH2

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