|
| << vorige | volgende >> |
Tijdschrift beschrijving
Alle jaargangen van het bijbehorende tijdschrift
Alle afleveringen van het bijbehorende jaargang
Alle artikelen van de bijbehorende aflevering
Details van artikel 47 van 66 gevonden artikelen
| Titel: |
Rovibrational states of H+3. Part 1: The energy region below 9000 cm-1 and modelling of the non-adiabatic effects |
| Auteur: |
SCHIFFELS, P. ALIJAH, A. HINZE, J. |
| Verschenen in: |
Molecular physics |
| Paginering: | Jaargang 101 (2003) nr. 1-2 pagina's 175-188 |
| Jaar: |
2003-01-10 |
| Inhoud: |
This group's variational method for computing rovibrational energies using hyperspherical coordinates and harmonics has been applied to all H+3 states below 13000 cm-1 (J ≤ 10) for which accurate energies based on a submicrohartre accuracy potential energy surface have been obtained. A comparison with a recent comprehensive compilation of experimental data below 9000 cm-1 shows deviations of up to 1.2 cm-1. First it is shown that these deviations exert a systematic influence on the vibrational band but depend to a much lesser extent on rotational excitation. Then the remaining discrepancies can be attributed to the neglect of non-adiabatic effects, for which a useful correction formula based on ab initio results is obtained. The scatter in individual bands can thus be reduced to ~0.1 cm-1 such that these corrected results are consistent with the accuracy of the potential energy surface itself. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 47 van 66 gevonden artikelen
| << vorige | volgende >> |