Theoretical determination of highly excited states of K2 correlated adiabatically above K(4p)+K(4p)
| Autor: | Abdul-Rahman Allouche, Monique Aubert-Frécon, S. Magnier |
|---|---|
| Přispěvatelé: | Laboratoire de Spectrométrie Ionique et Moléculaire (LASIM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS) |
| Rok vydání: | 2004 |
| Předmět: |
010304 chemical physics
Chemistry General Physics and Astronomy Electronic structure Lambda 01 natural sciences Omega Potential energy Dissociation (chemistry) 3. Good health Excited state 0103 physical sciences Molecule [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph] Physical and Theoretical Chemistry Atomic physics 010306 general physics ComputingMilieux_MISCELLANEOUS |
| Zdroj: | Journal of Chemical Physics Journal of Chemical Physics, American Institute of Physics, 2004, 121 (4), pp.1771-1781. ⟨10.1063/1.1764498⟩ |
| ISSN: | 1089-7690 0021-9606 |
| Popis: | The electronic structure of the K(2) molecule is revisited to describe the 36 highly excited states dissociating into the three limits K(4s) + K(4f), K(4s) + K(6p), and K(4s) + K(5d), which have not yet been investigated theoretically. Potential energy curves and spectroscopic constants are (re)displayed for the 98(1,3)Lambda(g,u) ((+,-)) molecular states correlated adiabatically to the limits up to K(4s) + K(5d). For the 10 states dissociating adiabatically into K(4p) + K(4p) and limits above for which experimental data are available, averaged errors of present results are found to be Delta R(e) = 0.07a(0), Delta T(e) = 50 cm(-1), Delta omega(e) = 0.8 cm(-1) and Delta D(e) = 60 cm(-1). Full energy data are available at the following address http://lasim.univ-lyon1.fr/allouche/k2.html |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|