| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389947 | Chemical Physics Letters | 2006 | 5 Pages |
Abstract
Shortcomings of large-core pseudopotentials are discussed for the case of the Au2 molecule, and it is shown how the errors can be substantially reduced by efficiently combining information from large-core and small-core calculations.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Hermann Stoll,