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Vibrations, Tunneling, and Transition Dipole Moments in the Water Dimer

✍ Scribed by Smit, Michael J.; Groenenboom, Gerrit C.; Wormer, Paul E. S.; van der Avoird, Ad; Bukowski, Robert; Szalewicz, Krzysztof


Book ID
126158760
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
219 KB
Volume
105
Category
Article
ISSN
1089-5639

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The present work reports an ab initio MRD-CI calculation of the dipole moment surfaces for the electronic ground state of the H 2 Te molecule. Using the ab initio results, we calculate the vibrational transition moments, and we simulate the far-infrared spectrum of H 2 Te by means of the MORBID prog