| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5418104 | Journal of Molecular Structure: THEOCHEM | 2008 | 9 Pages |
Abstract
Li3's electric dipole and electric field gradient at the nuclei are also computed. Unexpectedly, the electric dipole value is found to exhibit significant dependence on the inclusion of inner-shell out-of-plane correlation in the wavefunction.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Fabio E. Penotti,