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Details for article 6 of 12 found articles
| Title: |
Low-energy unphysical saddle in polynomial molecular potentials |
| Author: |
Monte, Alessio Del Manini, Nicola Molinari, Luca Guido Brivio, Gian Paolo |
| Appeared in: |
Molecular physics |
| Paging: | Volume 103 (2005) nr. 5 pages 689-696 |
| Year: |
2005-03-10 |
| Contents: |
Vibrational spectra of polyatomic molecules are often obtained from a polynomial expansion of the adiabatic potential around a minimum. For several molecules, we show that such an approximation displays an unphysical saddle point of comparatively small energy, leading to a region where the potential is negative and unbounded. This poses an upper limit for a reliable evaluation of vibrational levels. We argue that the presence of such saddle points is general. |
| Publisher: |
Taylor & Francis |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 6 of 12 found articles
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