Locality and Sparsity of Ab Initio One-Particle Density Matrices and Localized Orbitals
Author:
Affiliation:
1. Department of Chemistry, University of CaliforniaBerkeley, Berkeley, California 94720
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp972919j
Reference89 articles.
1. Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to Another
2. Canonical Configurational Interaction Procedure
3. Localized Atomic and Molecular Orbitals
4. A fast intrinsic localization procedure applicable for ab initio and semiempirical linear combination of atomic orbital wave functions
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