Abbreviated Journal Title
J. Chem. Phys.
Keywords
NEGATIVE HYDROGEN-IONS; VELOCITY H-IONS; CONFIGURATION-INTERACTION; REACTION PROBABILITIES; QUANTUM DYNAMICS; GROUND-STATE; AB-INITIO; REARRANGEMENT REACTION; ROTATIONAL-EXCITATION; INELASTIC SCATTERING; Physics, Atomic, Molecular & Chemical
Abstract
A new potential energy surface for the electronic ground state of the simplest triatomic anion H-3(-) is determined for a large number of geometries. Its accuracy is improved at short and large distances compared to previous studies. The permanent dipole moment surface of the state is also computed for the first time. Nine vibrational levels of H-3(-) and 14 levels of D-3(-) are obtained, bound by at most similar to 70 and similar to 126 cm(-1), respectively. These results should guide the spectroscopic search of the H-3(-) ion in cold gases (below 100K) of molecular hydrogen in the presence of H- ions.
Journal Title
Journal of Chemical Physics
Volume
132
Issue/Number
19
Publication Date
1-1-2010
Document Type
Article
DOI Link
Language
English
First Page
11
WOS Identifier
ISSN
0021-9606
Recommended Citation
Ayouz, M.; Guérout, R.; Robert, J.; and Kokoouline, V., "Potential energy and dipole moment surfaces of H-3(-) molecule" (2010). Faculty Bibliography 2010s. 6965.
https://stars.library.ucf.edu/facultybib2010/6965
Comments
Authors: contact us about adding a copy of your work at STARS@ucf.edu