| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383268 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠The theory of analytical gradients for metals is presented. ⺠Numerical and analytical gradients match well. ⺠Valid for one-, two-, three-dimensional periodicity, Hartree-Fock and DFT.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
K. Doll,