| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383267 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠CI expansion is performed using explicitly correlated zeroth order reference wavefunction. ⺠Electron-hole cusp is described using Gaussian-type geminal function. ⺠The CI energy is the upper bound to the XCCI energy. ⺠Excited state energies are calculated from the explicitly correlated wavefunction. ⺠Excellent agreement between XCCI and R12-FCI energies.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jennifer M. Elward, Jacob Hoffman, Arindam Chakraborty,