Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Sep 01, 2017
- Source ID
- 10.1016/j.cplett.2017.04.059
Entities
People
- Feizhi Ding
- Frederick R. Manby
- Kaito Miyamoto
- Sebastian J.r. Lee
- Thomas F. Miller Iii
Organizations
- Engineering and Physical Sciences Research Council
- Office of Science
- United States Army Research Laboratory