Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5383749 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠Extending the KSCED method to orbital-dependent functionals. ⺠Analyzing the merits of exact-exchange in frozen-density embedding calculations. ⺠Accurate embedding simulations beyond LDA/GGA. ⺠Improved accuracy for single-particle properties of embedded systems.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
S. Laricchia, E. Fabiano, F. Della Sala,