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Perturbation theory spin-component-scaled

J. Antony and S. Grimme, Is spin-component scaled second-order Mpller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules J. Phys. Chem. A, 111 (2007) 4862-4868. [Pg.150]

R.A. King, On the accuracy of spin-component-scaled perturbation theory (SCS-MP2) for the potential energy surface of the ethylene dimer. MoL Phys. 107(8-12), 789-795 (2009)... [Pg.49]

Distasio, R. A., Jr., 8c Head-Gordon, M. (2007). Optimized spin-component scaled second-order Moller-Plesset perturbation theory for intermolecular interaction energies. Molecular Physics, 105,1073-m3. [Pg.463]

Hill, J. G., Platts, J. A. (2008). Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Moller-Plesset perturbation theory. Physical Chemistry Chemical Physics, 10, 2785-2791. [Pg.464]

Cremer, D. and He, Z. (1996) Sixth-order Moller-Plesset perturbation theory on the convergence of the MPn series. J. Phys. Chem., 100, 6173-6188. Grimme, S., Goerigk, L., and Fink, R.F. (2012) Spin-component-scaled electron correlation methods. Wiley Interdiscip. Rev. Comput. Mol Sci., 2, 886-906. Schwabe, X. and Grimme, S. (2008) Xheoretical thermodynamics for... [Pg.365]


See other pages where Perturbation theory spin-component-scaled is mentioned: [Pg.239]    [Pg.74]    [Pg.548]    [Pg.7]    [Pg.340]    [Pg.613]    [Pg.63]   
See also in sourсe #XX -- [ Pg.239 ]




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