Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5382273 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
⺠A modified localization scheme for three dimensional elongation method to the large system calculations is proposed. ⺠The modified localization scheme is based on the small dimensional elongation units. ⺠The modified scheme is more efficient than the original one. ⺠The accuracy of the new scheme is the same as original one.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Kai Liu, Yun-an Yan, Feng Long Gu, Yuriko Aoki,