Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5374654 | Chemical Physics | 2011 | 8 Pages |
Abstract
⺠We outline a self-consistent density functional approach to the calculation of transition energies. ⺠The approach is an improvement over a previous scheme [Ziegler et al. Chem. Phys. 130, 154102 (2009)]. ⺠We describe how our method is related to other schemes based on density functional theory.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
John Cullen, Mykhaylo Krykunov, Tom Ziegler,