Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5384276 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠A convenient method incorporating the higher-order relativistic and basis-set effects. ⺠A connection between low-cost two-component and expensive four-component calculations. ⺠Accelerates four-component relativistic DFT calculations.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Wataru Mizukami, Takahito Nakajima, Kimihiko Hirao, Takeshi Yanai,