Frozen Virtual Natural Orbitals for Coupled-Cluster Linear-Response Theory

Author:

Kumar Ashutosh1,Crawford T. Daniel1ORCID

Affiliation:

1. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Reference45 articles.

1. Many – Body Methods in Chemistry and Physics

2. Gauss, J.InEncyclopedia of Computational Chemistry;Schleyer, P., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Schreiner, P. R., Eds.John Wiley and Sons:Chichester, U.K., 1998; pp615–636.

3. Crawford, T. D., Schaefer, H. F.InReviews in Computational Chemistry;Lipkowitz, K. B., Boyd, D. B., Eds.VCH Publishers:New York, 2000; Vol.14, pp33–136.

4. Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

5. Studies in Configuration Interaction: The First-Row Diatomic Hydrides

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