A New Model Potential Acting on the Excited Electron Within Molecules: Application to Calculate the Recurrence Spectra of Excited H2 Molecules in Strong External Fields
WANG De-Hua1,3, DING Shi-Liang1,2
1School of Physics and Microelectronics, Shandong University, Jinan 250100
2State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023
3Department of Mathematics and Physics, Shandong Institute of Architecture and Engineering, Jinan 250014
A New Model Potential Acting on the Excited Electron Within Molecules: Application to Calculate the Recurrence Spectra of Excited H2 Molecules in Strong External Fields
WANG De-Hua1,3;DING Shi-Liang1,2
1School of Physics and Microelectronics, Shandong University, Jinan 250100
2State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023
3Department of Mathematics and Physics, Shandong Institute of Architecture and Engineering, Jinan 250014
Abstract： By using the molecular orbit theory, we give a new model potential acting on the excited electron within a molecule. The potential is the total interaction energy of this electron with all the nuclei and other electrons. We find that the introduction of a new model potential results in an extreme increase of the number of closed orbits as compared to the hydrogen atom. Making use of the molecular closed-orbit theory (MCOT) and the new model potential, we calculate the recurrence spectra of H2 molecules in parallel electric and magnetic fields for different quantum defects. The modulations in the spectra can be analysed in terms of the scattering of the excited electron on the molecular core. Our results are in good agreement with the quantum results.
(Intermolecular and atom-molecule potentials and forces)
引用本文:
WANG De-Hua;DING Shi-Liang;. A New Model Potential Acting on the Excited Electron Within Molecules: Application to Calculate the Recurrence Spectra of Excited H2 Molecules in Strong External Fields[J]. 中国物理快报, 2004, 21(7): 1189-1194.
WANG De-Hua, DING Shi-Liang,. A New Model Potential Acting on the Excited Electron Within Molecules: Application to Calculate the Recurrence Spectra of Excited H2 Molecules in Strong External Fields. Chin. Phys. Lett., 2004, 21(7): 1189-1194.
2004, Vol. 21 
