Properties and computation of the Coulomb pair density matrix

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Abstract

The Coulomb pair density matrix is essential in numerical quantum mechanical studies of Coulombic systems. The properties of the pair density matrix in two and three dimensions for attractive and repulsive coulomb potentials are discussed here. These are incorporated into several listed fortran subroutines. © 1988.

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Pollock, E. L. (1988). Properties and computation of the Coulomb pair density matrix. Computer Physics Communications, 52(1), 49–60. https://doi.org/10.1016/0010-4655(88)90171-3

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