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Rotation–vibration energy levels from recent potential energy surfaces for the ground electronic states of NO2 and H2O

✍ Scribed by D. Belmiloud; M. Jacon

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
149 KB
Volume
76
Category
Article
ISSN
0020-7608

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✦ Synopsis

Using recently published potential energy surfaces, rovibrational energy levels are computed for the ground electronic states of H O and NO , using three-2 2 Ž . dimensional discrete variable representation DVR algorithms. Calculations are presented for H O to demonstrate the accuracy of these algorithms. In the case of NO , comparisons 2 2

with previous calculations are made as a test for the accuracy of the new potential energy surface.

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