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Full dimensional quantum calculations of vibrational energies of H5O2(super +1)

Authors :
Xinchuan Huang
Hyung Min Cho
Carter, Stuart
Ojamae, Lars
Bowman, Joel M.
Singer, Sherwin J.
Source :
Journal of Physical Chemistry A. Sept 18, 2003, Vol. 107 Issue 37, p7142, 10 p.
Publication Year :
2003

Abstract

An effort is made to obtain vibrational energies of H5O2(super +1) in full dimension, in this study. For this purpose, the diffusion quantum Monte Carlo method and the vibrational configuration interaction methods are used.

Details

Language :
English
ISSN :
10895639
Volume :
107
Issue :
37
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.123434171