Analytic energy gradients for the orbital-optimized third-order Møller–Plesset perturbation theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4820877
Reference107 articles.
1. On the evaluation of analytic energy derivatives for correlated wave functions
2. Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+
3. Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory
4. Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems
5. Analytic energy gradients for the orbital-optimized second-order Møller–Plesset perturbation theory
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