Resolutions of the Coulomb operator
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 1∕r₁₂ and propose that the resulting “resolution of the Coulomb operator,” r₁₂⁻¹=∣ϕi><ϕi∣, 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...[Show more]
|Collections||ANU Research Publications|
|Source:||The Journal of Chemical Physics|
|01_Varganov_Resolutions_of_the_Coulomb_2008.pdf||99.16 kB||Adobe PDF|
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