# Ana Santos-Valle

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- Juan I. Rodríguez, Andreas M. Köster, Paul W. Ayers, Ana Santos-Valle, Alberto Vela, Gabriel Merino
- Journal of Computational Chemistry
- 2009

We introduce a method to compute atomic properties according to the "quantum theory of atoms in molecules." An integration grid in real space is partitioned into subsets, omega(i). The subset, omega(i), is composed of all grid points contained in the atomic basin, Omega(i), so that integration over Omega(i) is reduced to simple quadrature over the points in… (More)

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