Automatic algorithms for completeness-optimization of Gaussian basis sets
Author:
Affiliation:
1. Department of Physics; University of Helsinki; P. O. Box 64, FI-00014 University of Helsinki Finland
2. Department of Applied Physics; COMP Center of Excellence; P. O. Box 11100, FI-00076 Aalto Finland
Funder
Suomen Akatemia
Magnus Ehrnroothin säätiö
Vilho, Yrjö ja Kalle Väisälän rahasto
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
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1. Inhomogeneous Electron Gas
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3. New Developments in Molecular Orbital Theory
4. Self‐Consistent Orbitals for Radicals
5. One- and two-electron integrals over cartesian gaussian functions
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