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