Resolutions of the Coulomb operator.
نویسندگان
چکیده
We discuss a generalization of the resolution of the identity by considering one-body resolutions of two-body operators, with particular emphasis on the Coulomb operator. We introduce a set of functions that are orthonormal with respect to 1r(12) and propose that the resulting "resolution of the Coulomb operator," r(12) (-1)=mid R:phi(i)phi(i)mid R:, may be useful for the treatment of large systems due to the separation of two-body interactions. We validate our approach by using it to compute the Coulomb energy of large systems of point charges.
منابع مشابه
an 2 01 3 Resolutions of the Coulomb operator VI : Computation of auxiliary integrals
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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 128 20 شماره
صفحات -
تاریخ انتشار 2008