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Electronic states and radiative transitions in LiAr |
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| Authors: | Jian-ping Gu Gerhard Hirsch Robert J. Buenker Ioannis D. Petsalakis Giannoula Theodorakopoulos Ming-bao Huang |
| Affiliation: | a Bergische Universität - Gesamthochschule Wuppertal, Fachbereich 9 - Theoretische Chemie, Gaussstrasse 20, D-42097 Wuppertal, Germany b Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48, Vas. Constantinou Avenue, 116 35 Athens, Greece c Department of Modern Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China |
| Abstract: | Ab initio MRD-CI calculations have been carried out on the ground and the eight lowest excited electronic states of LiAr, correlating with excited Li atom states up to 3d 2D. The ground (X2∑+ (2s)) and 2 2Σ+ (2p) electronic states are repulsive while the higher excited states show shallow Rydberg minima. Rates of radiative bound-bound and bound-free transitions have been also calculated. |
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