| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383518 | Chemical Physics Letters | 2012 | 8 Pages |
Abstract
⺠We previously proposed the rigorous non-Born-Oppenheimer theory: ECG-NOMO. ⺠The unique two-electron integrals (ERIs) appear in the ECG-NOMO theory. ⺠We propose the analytical and hybrid schemes to evaluate the ECG-NOMO unique ERIs. ⺠The present theory accurately reproduces zero-point energies and nuclear densities.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Hiroaki Nishizawa, Minoru Hoshino, Yutaka Imamura, Hiromi Nakai,