C. W. Murray, N. C. Handy, and G. J. Laming. Quadrature schemes for integrals of density functional theory. Mol. Phys., 78:997--1014, 1993. Home/Search Document Not in Database Summary Related Articles |
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On Numerical Approximation of Electrostatic Energy in 3D - Finocchiaro, Pellegrini.. (1998) (Correct)
....weight functions, an arbitrary 3 dimensional integral can be reduced to a sum of atomcentered integrals, for which product quadrature rules in spherical coordinates are used. Further refinements and tuning of the approaches in [11] and [15] for three dimensional integrals are investigated in [19]. The approach in [20, 21] to the evaluation of integrals of potential theory has some high level similarity with that of Becke, although in a different context. 1.2.2 Energy calculations for crystals In several models of matter we can distinguish a discrete component made of charged point ....
C. W. Murray, N. C. Handy, and G. J. Laming. Quadrature schemes for integrals of density functional theory. Mol. Phys., 78:997--1014, 1993.
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