Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flips

Author:

Bell Franziska,Zimmerman Paul M.,Casanova David,Goldey Matthew,Head-Gordon Martin

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference91 articles.

1. Coupled-cluster theory in quantum chemistry

2. R. J. Bartlett , in Theory and Applications of Computational Chemistry: The First Forty Years, Elsevier, Amsterdam, 2005, pp. 1191–1221

3. J. Paldus , in Theory and Applications of Computational Chemistry: The First Forty Years, Elsevier, Amsterdam, 2005, pp. 115–147

4. A spin-complete version of the spin-flip approach to bond breaking: What is the impact of obtaining spin eigenfunctions?

5. B. O. Roos , In Ab Initio Methods in Quantum Chemistry, 1987, vol. 2, p. 399

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