Bound and quasibound states of HeH2+ and its isotopomers

Citation
B. Maiti et N. Sathyamurthy, Bound and quasibound states of HeH2+ and its isotopomers, CHEM P LETT, 345(5-6), 2001, pp. 461-470
Citations number
33
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
345
Issue
5-6
Year of publication
2001
Pages
461 - 470
Database
ISI
SICI code
0009-2614(20010921)345:5-6<461:BAQSOH>2.0.ZU;2-L
Abstract
Bound and quasibound states of HeH2+ and its isotopic variants have been co mputed on the recently reported ab initio potential energy surface by Palmi eri et al. [Mol. Phys. 98 (2000) 1835] using a time-dependent wave packet m ethodology. It is shown for the first time that the lowest energy bound sta tes for HeH2+ and HeD2+ in three dimensions are doublets, with a splitting of 7.0 and 4.8 cm(-1), respectively, Such a finding has profound implicatio ns for the interpretation of microwave and other spectra for the system. (C ) 2001 Elsevier Science B.V. All rights reserved.