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Explicitly correlated second-order Moller-Plesset

Klopper, W., Samson, C.C.M. Explicitly correlated second-order Moller-Plesset methods with auxiliary basis sets. J. Chem. Phys. 2002,116, 6397-410. [Pg.146]

Werner, H.-J. Eliminating the domain error in local explicitly correlated second-order Moller-Plesset perturbation theory. J. Chem. Phys. 2008, 129, 101103. [Pg.147]

Calculations on selected benchmark atoms and molecules (Be, Ne, LiH, HF, H2O) have revealed the great potential of the coupled-cluster R12 method. The CCSD(T)-R12 calculations on the 10-electron systems represent the most accurate calculations at this level to date. At the second-order Moller-Plesset level, explicitly correlated wave functions have provided accurate and reliable potential energy surfaces for systems such as the HF dimer and the H2O trimer. [Pg.2372]


See other pages where Explicitly correlated second-order Moller-Plesset is mentioned: [Pg.133]    [Pg.133]    [Pg.197]    [Pg.67]    [Pg.548]    [Pg.141]    [Pg.152]    [Pg.12]    [Pg.152]    [Pg.12]   
See also in sourсe #XX -- [ Pg.133 ]




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