Subspace Density Matrix Functional Embedding Theory: Theory, Implementation, and Applications to Molecular Systems
Author:
Affiliation:
1. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544-5263, United States
2. School of Engineering and Applied Science, Princeton University, Princeton, New Jersey 08544-5263, United States
Funder
Division of Chemistry
Basic Energy Sciences
Office of Science
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00990
Reference66 articles.
1. Advances in Correlated Electronic Structure Methods for Solids, Surfaces, and Nanostructures
2. Embedded Correlated Wavefunction Schemes: Theory and Applications
3. Subsystem density-functional theory
4. Self-consistently determined properties of solids without band-structure calculations
5. Frozen density functional approach for ab initio calculations of solvated molecules
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