| Autor: |
Hagedorn, George A., Joye, Alain |
| Rok vydání: |
2008 |
| Předmět: |
|
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1142/S0129055X09003621 |
| Popis: |
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with non--symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled differently from those of the heavier nuclei, and we employ a specialized form for the electron energy level surface. As a result, the different vibrational modes appear at different orders of approximation. Although we develop a general theory, our analysis is motivated by an examination of the F H Cl- ion. We describe our results for it in detail. We prove the existence of quasimodes and quasienergies for the nuclear vibrational and rotational motion to arbitrary order in the Born--Oppenheimer parameter epsilon. When the electronic motion is also included, we provide simple formulas for the quasienergies up to order epsilon cubed that compare well with experiment and numerical results. |
| Databáze: |
arXiv |
| Externí odkaz: |
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