Atomic Electronic Structure Calculations with Hermite Interpolating Polynomials
Author:
Affiliation:
1. Molecular Sciences Software Institute, Blacksburg, Virginia 24061, United States
2. Department of Chemistry, University of Helsinki, P.O. Box 55, FI-00014 Helsinki, Finland
Funder
Luonnontieteiden ja Tekniikan Tutkimuksen Toimikunta
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c00729
Reference81 articles.
1. Role of the Continuum in Superposition of Configurations
2. Continuum Wave Functions in the Calculation of Sums Involving Off-Diagonal Matrix Elements
3. The importance of basis states: an example using the hydrogen basis
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5. Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient
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