Coupled-Cluster in Real Space. 1. CC2 Ground State Energies Using Multiresolution Analysis
Author:
Affiliation:
1. Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, D-10099 Berlin, Germany
Funder
Deutsche Forschungsgemeinschaft
Verband der Chemischen Industrie
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00694
Reference55 articles.
1. HEAT: High accuracy extrapolatedab initiothermochemistry
2. Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory
3. The Elephant in the Room of Density Functional Theory Calculations
4. Assessing Excited State Methods by Adiabatic Excitation Energies
5. Numerically accurate linear response-properties in the configuration-interaction singles (CIS) approximation
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