Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme
- Authors:
-
[1]
; [1]
- Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States
- Publication Date:
- Grant/Contract Number:
- SC0008666
- Type:
- Published Article
- Journal Name:
- Journal of Chemical Theory and Computation
- Additional Journal Information:
- Journal Volume: 11; Journal Issue: 7; Related Information: CHORUS Timestamp: 2017-12-05 08:45:43; Journal ID: ISSN 1549-9618
- Publisher:
- American Chemical Society
- Sponsoring Org:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Country of Publication:
- United States
- Language:
- English
- OSTI Identifier:
- 1252036