| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5388505 | Chemical Physics Letters | 2007 | 6 Pages |
Abstract
A highly-accurate global potential energy surface for the simplest metastable Xe-containing compound HXeH has been developed at the CASPT2 level of theory with a very large basis set including relativistic effects. The metastable vibrational levels of HXeH and its isotopic variants were estimated using time-dependent wave packet calculations.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Toshiyuki Takayanagi, Tomoko Asakura, Kenta Takahashi, Yuriko Taketsugu, Tetsuya Taketsugu, Takeshi Noro,