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About Jonathan Tennyson Et Al - DVR3D: A Program Suite For The Calculation of Rotation-Vibration Spectra of Triatomic Molecules
The DVR3D program suite calculates energy levels, wavefunctions, and where appropriate dipole transition moments, for rotating and vibrating triatomic molecules. Potential energy and, where necessary, dipole surfaces must be provided. Expectation values of geometrically defined functions can be calculated, a feature which is particularly useful for fitting potential energy surfaces.
Detailed Information
| Author: | ['Kmaxx2'] |
|---|---|
| Publication Year: | 2012 |
| Pages: | 32 |
| Language: | English |
| Format: | |
| Price: | FREE |
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