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Exact Hamiltonian for an analytic correlated ground-state wave function for He-like ions |
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| Authors: | C. Amovilli, N.H. March, I.A. Howard, . Nagy |
| Affiliation: | aDipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa, Italy bDepartment of Physics, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium cOxford University, Oxford, England, UK dDepartment of Chemistry (ALGC), Free University of Brussels (VUB), Pleinlaan 2, B-1050 Brussels, Belgium eDepartment of Theoretical Physics, University of Debrecen, H-4010 Debrecen, POB 5, Hungary |
| Abstract: | A correlated three-parameter variational ground-state Ψ(r1,r2,r12) proposed by Chandrasekhar for helium-like ions gives a high percentage of the electron correlation energy resulting from the interaction energy e2/r12 and also yields an analytic ground-state electron density ρ(r). Here, we extract via Schrödinger equation an exact Hamiltonian for which the Chandrasekhar wave function is the ground-state. Properties of the potential energy function in this Hamiltonian are quantified. Finally, kinetic energy densities are plotted and related to the Laplacian of ρ(r). |
| Keywords: | Chandrasekhar wave function Exact Hamiltonian |
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