Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3665134
Reference102 articles.
1. A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
2. The optimization of molecular orbitals for coupled cluster wavefunctions
3. On the evaluation of analytic energy derivatives for correlated wave functions
4. The analytic configuration interaction gradient method: The calculation of one electron properties
5. Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+
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