Theoretical and Experimental Spectroscopy of the S2 State of CHF and CDF: Dynamically Weighted Multireference Configuration Interaction Calculations for High-Lying Electronic States-Reference-Cited by-同舟云学术

Theoretical and Experimental Spectroscopy of the S2 State of CHF and CDF: Dynamically Weighted Multireference Configuration Interaction Calculations for High-Lying Electronic States

Published:2010-01-19 Issue:3 Volume:1 Page:641-646
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Dawes Richard¹,Jasper Ahren W.¹,Tao Chong²,Richmond Craig³,Mukarakate Calvin²,Kable Scott H.³,Reid Scott A.²

Affiliation:

1. Combustion Research Facility, Sandia National Laboratories, P.O. Box 969, Livermore, California 94551

2. Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201-1881

3. School of Chemistry, University of Sydney, NSW 2006, Australia

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jz900380a

Reference32 articles.

1. A discrete variable representation method for studying the rovibrational quantum dynamics of molecules with more than three atoms

2. Variational quantum approaches for computing vibrational energies of polyatomic molecules

3. An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH3

4. A global electric dipole function of ammonia and isotopomers in the electronic ground state

5. A modified potential for HO2 with spectroscopic accuracy

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