Explicit form of Pauli potential for direct derivation of pair density from a two-particle differential equation for the quintet state of four electrons with harmonic interparticle interactions

Journal Of Mathematical Chemistry 51, 1462 - 1466 (2013)

Explicit form of Pauli potential for direct derivation of pair density from a two-particle differential equation for the quintet state of four electrons with harmonic interparticle interactions

A. Akbari, C. Amovilli, N. H. March, A. Rubio

Recently, an analytic two-particle density matrix (2DM) has been derived for the quintet state of four electrons interacting via two-body harmonic forces. Here we use this 2DM to extract the exact pair density (r1, r2). This is then employed in the known two-particle partial differential equation for the pair density amplitude to extract the Pauli potential vP(r1, r2) for this quintet state.

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http://dx.doi.org/10.1007/s10910-013-0158-3

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