Accurate Modified Configuration Interaction Calculations for Many Electron Systems Made Easy

S. P. Goldman
Phys. Rev. Lett. 78, 2325 – Published 24 March 1997
PDFExport Citation

Abstract

A method is introduced that drastically simplifies modified configuration interaction (MCI) calculations involving several electrons. All the radial matrix elements in MCI or correlated calculations are formulated as products of simple, independent one-dimensional integrals: one from 0 to , all the others from 0 to 1. The method is easily applicable to CI and to direct correlated calculations for more than two-electrons. Extremely high levels of numerical accuracy are obtained for the radial limit of the ground state of helium, far exceeding the best results in the literature.

  • Received 1 October 1996

DOI:https://doi.org/10.1103/PhysRevLett.78.2325

©1997 American Physical Society

Authors & Affiliations

S. P. Goldman

  • Department of Physics, The University of Western Ontario, London, Ontario, Canada N6A 3K7

References (Subscription Required)

Click to Expand
Issue

Vol. 78, Iss. 12 — 24 March 1997

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×