Molecular symmetry in methods for electron correlation
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.462730
Reference9 articles.
1. Electron repulsion integrals and symmetry adapted charge distributions
2. Contribution of atomic orbital integrals to symmetry orbital integrals
3. An algorithm for the use of symmetry in molecular self-consistent-field calculations
4. Use of double cosets in constructing integrals over symmetry orbitals
5. On the use of symmetry in SCF calculations
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1. MolSym: A Python package for handling symmetry in molecular quantum chemistry;The Journal of Chemical Physics;2024-07-10
2. Algorithms for computer detection of symmetry elements in molecular systems;Journal of Computational Chemistry;2013-11-25
3. New implementation of molecular double point-group symmetry in four-component relativistic Gaussian-type spinors;International Journal of Quantum Chemistry;2007
4. Functional Group Basis Sets;Journal of Chemical Theory and Computation;2005-02-03
5. A Symmetry adapted tessellation of the GEPOL surface: applications to molecular properties in solution;Journal of Computational Chemistry;2001
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