Improved transformation algorithm of two-electron integrals from atomic orbital basis to a symmetry orbital basis
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference16 articles.
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4. Use of double cosets in constructing integrals over symmetry orbitals
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1. Analogy between real irreducible tensor operator and molecular two-particle operator;Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta);1997-07-18
2. Symmetry reduction of the matrix elements of a two-particle operator;International Journal of Quantum Chemistry;1996-11-15
3. The use of symmetry in direct M�ller-Plesset second-order calculations;Theoretica Chimica Acta;1993-08
4. Avoiding the integral storage bottleneck in LCAO calculations of electron correlation;Chemical Physics Letters;1989-01
5. Symmetry-adapted integral derivatives;Theoretica Chimica Acta;1986-06
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