Improved Correlation Energy Extrapolation Schemes Based on Local Pair Natural Orbital Methods
Author:
Affiliation:
1. Max-Planck Institut für Bioanorganische Chemie, Stiftstrasse 32-34, D-45470 Mülheim an der Ruhr, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp302096v
Reference67 articles.
1. Basis-set convergence of correlated calculations on water
2. Coupled-cluster studies. II. The role of localization in correlation calculations on extended systems
3. Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?
4. Importance of Angular Correlations between Atomic Electrons
5. Rates of convergence of variational calculations and of expectation values
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