| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374348 | Chemical Physics | 2012 | 6 Pages |
Abstract
The twisting potential energy surfaces (PESs) of C2H4 are calculated using various CC methods with the cc-pVDZ basis set. The PES of CCSD(T)-h is smooth at torsional angles around 90° and is very close to that of CCSDT.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Zhuangfei Kou, Jun Shen, Enhua Xu, Shuhua Li,