Parallel and Low-Order Scaling Implementation of Hartree–Fock Exchange Using Local Density Fitting
Author:
Affiliation:
1. Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany
Funder
European Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00251
Reference78 articles.
1. Low-order scaling local electron correlation methods. I. Linear scaling local MP2
2. Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T)
3. Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Møller–Plesset perturbation theory
4. Local perturbative triples correction (T) with linear cost scaling
5. Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)
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