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Phys. Rev. A 40, 5559–5567 (1989)

Solution of the pair equation using a finite discrete spectrum

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Sten Salomonson and Per Öster
Department of Physics, Chalmers University of Technology, S-412 96 Göteborg, Sweden

Received 19 June 1989; published in the issue dated November 1989

A method for the solution of the pair equation, by summation over a complete and finite basis set, is presented. The basis set is obtained by diagonalization of a discretized Hermitian one-particle Hamiltonian. The number of operations required to solve the radial pair equation is proportional to N3 where N is the number of radial lattice points used. An application to the ground state of helium, evaluating the total energy to an accuracy of a few parts in 108, is presented. The method is equally well applicable to the study of pair correlation in many-electron atoms.

© 1989 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.40.5559
DOI:
10.1103/PhysRevA.40.5559
PACS:
31.15.+q, 31.20.Di