A comparative study of the convergence characteristics of modified virtual orbitals within an orbitally ordered CI expansion
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.443677
Reference12 articles.
1. A simple procedure for the improvement of CI convergence in molecular systems
2. The construction of modified virtual orbitals (MVO’s) which are suited for configuration interaction calculations
3. An approximation to frozen natural orbitals through the use of the Hartree–Fock exchange potential
4. Nature of the Configuration-Interaction Method inAb InitioCalculations. I. Ne Ground State
5. A systematicCI procedure with modified virtual orbitals
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