Efficient Computation of Exchange Energy Density with Gaussian Basis Functions
Author:
Affiliation:
1. Department of Chemistry, Middle Tennessee State University, Murfreesboro, Tennessee 37130, United States
Funder
American Chemical Society Petroleum Research Fund
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00055
Reference62 articles.
1. Challenges for Density Functional Theory
2. Jacob’s ladder of density functional approximations for the exchange-correlation energy
3. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
4. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
5. Density‐functional thermochemistry. III. The role of exact exchange
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