The 6-31B(d) Basis Set and the BMC-QCISD and BMC-CCSD Multicoefficient Correlation Methods
Author:
Affiliation:
1. Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp045847m
Reference96 articles.
1. Improved coefficients for the scaling all correlation and multi-coefficient correlation methods
2. Optimized Parameters for Scaling Correlation Energy
3. The Gaussian-2 method with proper dissociation, improved accuracy, and less cost
4. Multi-coefficient Gaussian-3 method for calculating potential energy surfaces
5. Gaussian-3 theory using scaled energies
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