A Simple, Exact Density-Functional-Theory Embedding Scheme
Author:
Affiliation:
1. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom
2. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States
Funder
Research Councils UK
National Science Foundation
U.S. Department of Energy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct300544e
Reference37 articles.
1. Density dependence of the dielectric constant of rare-gas crystals
2. Self-consistently determined properties of solids without band-structure calculations
3. Frozen density functional approach for ab initio calculations of solvated molecules
4. Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory
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