Improvement of Multiconfigurational Wave Functions and Energies by Correlation Energy Functionals
Author:
Affiliation:
1. Departamento de Química Física, Universidad de Alicante, Apartado 99, E-03080 Alicante, Spain
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp983448j
Reference46 articles.
1. New functionals for correlation energy deduced in the framework of the correlation factor approach
2. Correlation potentials for the He atom and the hydrogen molecule: A comparison between the correlation factor approach and DFT correlation energy functionals
3. On proper dissociation configurations of a molecule
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