The conversion of nonlocal one-body operators into local ones: The Slater potential revisited

Details The conversion of nonlocal one-body operators into local ones: The Slater potential revisited The conversion of nonlocal one-body operators into local ones: The Slater potential revisited

2004-07-20

arxiv.org/abs/physics/0407107v2

Physics

Chemical Physics

Added connection with the Slater potential that was overlooked in the previous version. 10 pages

Scientific paper

One-particle Schrodinger equations are considered, e.g., the Hartree--Fock equations, that contain a nonlocal operator, e.g., the Hartree--Fock exchange operator, where this operator depends on the one-particle density-matrix of a determinantal state. One-body nonlocal operators of this type are converted into approximate local potentials that depend on the kernel of the nonlocal operator and, also, the one-particle density matrix that, as mentioned above, the nonlocal operator also depends on. When the non-local operator is the exchange operator, the method yields the Slater potential.

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