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Second order Moller-Plesset selective

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 Second order Moller-Plesset selective is mentioned: [Pg.808]    [Pg.104]    [Pg.10]    [Pg.393]    [Pg.397]    [Pg.91]    [Pg.331]    [Pg.381]    [Pg.185]    [Pg.456]    [Pg.106]    [Pg.222]   


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