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Moller-Plesset perturbation theory convergence

Electron correlation (how well does Moller-Plesset perturbation theory converge for these problems )... [Pg.296]

Table 6 displays some bonding energies for CI2-, as calculated at the D-BOVB level and at other theoretical levels, including Hartree-Fock and Moller-Plesset perturbation theory. Unlike the F2 case, the Moller-Plesset series converges well around the values of 24-25 kcal/mol which can be taken as references for the bonding energy in this basis set. [Pg.212]

The most recent of the publications to question the applicability of the low order theory studies is authored by Schaefer and his co-workers who ask the question Is Moller-Plesset perturbation theory a convergent ab initio method These authors write... [Pg.344]

Convergent smmnation of Moller-Plesset perturbation theory ... [Pg.367]

Is Moller-Plesset Perturbation Theory a Convergent Ah Initio Method ... [Pg.86]

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 Moller-Plesset perturbation theory convergence is mentioned: [Pg.189]    [Pg.433]    [Pg.368]    [Pg.136]    [Pg.171]    [Pg.155]    [Pg.244]    [Pg.340]    [Pg.174]    [Pg.235]    [Pg.82]    [Pg.253]    [Pg.8]    [Pg.219]    [Pg.90]    [Pg.344]    [Pg.237]    [Pg.365]    [Pg.224]    [Pg.91]    [Pg.176]    [Pg.211]    [Pg.91]    [Pg.98]    [Pg.204]    [Pg.254]    [Pg.478]    [Pg.17]    [Pg.439]    [Pg.16]    [Pg.224]    [Pg.290]    [Pg.3]    [Pg.62]    [Pg.548]    [Pg.365]   
See also in sourсe #XX -- [ Pg.173 ]




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