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Universal formulation of second-order generalized Møller–Plesset perturbation theory for a spin-dependent two-component relativistic many-electron Hamiltonian

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Published in 2017 at "Chemical Physics Letters"

DOI: 10.1016/j.cplett.2017.03.027

Abstract: Abstract We have derived and implemented a universal formulation of the second-order generalized Moller–Plesset perturbation theory (GMP2) for spin-dependent (SD) two-component relativistic many-electron Hamiltonians, such as the infinite-order Douglas–Kroll–Hess Hamiltonian for many-electron systems, which is… read more here.

Keywords: second order; universal formulation; many electron; electron ... See more keywords