| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374394 | Chemical Physics | 2012 | 8 Pages |
Abstract
⺠We have used extended coupled cluster method to study IR and Raman spectroscopic properties for small molecules. ⺠Our approach is semi-numerical. ⺠Basis set dependence and electron correlation is studied. ⺠Effect of partial triples makes the result closer to experimental and full CI values.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Sayali P. Joshi, Achintya Kumar Dutta, Sourav Pal, Nayana Vaval,