Relaxing Constrained Amplitudes: Improved F12 Treatments of Orbital Optimization and Core–Valence Correlation Energies
Author:
Affiliation:
1. Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart, Germany
Funder
Max-Planck-Gesellschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00792
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