Multilevel Approaches within the Local Pair Natural Orbital Framework
Author:
Affiliation:
1. Max Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D−45470 Mülheim an der Ruhr, Germany
Funder
Max-Planck-Gesellschaft
Fonds der Chemischen Industrie
RESOLV cluster of excellence EXC 1069
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00260
Reference103 articles.
1. Coupled-cluster theory in quantum chemistry
2. Multiple basis sets in calculations of triples corrections in coupled-cluster theory
3. Scaling reduction of the perturbative triples correction (T) to coupled cluster theory via Laplace transform formalism
4. Optimized virtual orbitals for correlated calculations: Towards large scale CCSD(T) calculations of molecular dipole moments and polarizabilities
5. Coupled-cluster studies. II. The role of localization in correlation calculations on extended systems
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