| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394370 | Computational and Theoretical Chemistry | 2013 | 27 Pages |
Abstract
⺠We aim to reveal a link between the Pauli potential and the orbital-free picture of chemical bond. ⺠The approximate spatial distributions of the Pauli potential for simple crystals are presented. ⺠The Pauli potential and its associated charge density are the orbital-free bonding descriptors in crystals.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Vladimir G. Tsirelson, Adam I. Stash, Valentin V. Karasiev, Shubin Liu,