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Showing 2016 · physics.chem-phShow all
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physics.chem-ph2016★ 124 cited
Separation of Dynamic and Nondynamic Correlation
Eloy Ramos-Cordoba, Pedro Salvador, Eduard Matito
The account of electron correlation and its efficient separation into dynamic and nondynamic parts plays a key role in the development of computational methods. In this paper we su…
physics.chem-ph2016★ 18 cited
Molecular electric moments calculated by using natural orbital functional theory
Ion Mitxelena, Mario Piris
The molecular electric dipole, quadrupole and octupole moments of a selected set of 21 spin-compensated molecules are determined employing the extended version of the Piris natural…