Abstract
The vibrational levels of a potential energy surface recently proposed by Bowman et al. [J. Phys. Chem. 1990, 94, 2226] for the electronically excited van der Waals complex Ar-OH(A2Σ+) are calculated by using analytic discrete variable representations. The results, together with those of previous calculations and with experimental spectroscopic data on vibrational band origins, are used to suggest further refinements in the potential energy function.
| Original language | English |
|---|---|
| Pages (from-to) | 8293-8299 |
| Number of pages | 7 |
| Journal | Journal of Physical Chemistry |
| Volume | 95 |
| Issue number | 21 |
| Publication status | Published - 1991 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
Cite this
Calculation of the vibrational levels of electronically excited Ar-OH(A2Σ+) using a proposed potential energy surface and analytic discrete variable representations. / Guan, Y.; Muckerman, James.
In: Journal of Physical Chemistry, Vol. 95, No. 21, 1991, p. 8293-8299.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Calculation of the vibrational levels of electronically excited Ar-OH(A2Σ+) using a proposed potential energy surface and analytic discrete variable representations
AU - Guan, Y.
AU - Muckerman, James
PY - 1991
Y1 - 1991
N2 - The vibrational levels of a potential energy surface recently proposed by Bowman et al. [J. Phys. Chem. 1990, 94, 2226] for the electronically excited van der Waals complex Ar-OH(A2Σ+) are calculated by using analytic discrete variable representations. The results, together with those of previous calculations and with experimental spectroscopic data on vibrational band origins, are used to suggest further refinements in the potential energy function.
AB - The vibrational levels of a potential energy surface recently proposed by Bowman et al. [J. Phys. Chem. 1990, 94, 2226] for the electronically excited van der Waals complex Ar-OH(A2Σ+) are calculated by using analytic discrete variable representations. The results, together with those of previous calculations and with experimental spectroscopic data on vibrational band origins, are used to suggest further refinements in the potential energy function.
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UR - http://www.scopus.com/inward/citedby.url?scp=0011606904&partnerID=8YFLogxK
M3 - Article
VL - 95
SP - 8293
EP - 8299
JO - Journal of Physical Chemistry
JF - Journal of Physical Chemistry
SN - 0022-3654
IS - 21
ER -