Phys. Rev. A 70, 022513 (2004) [4 pages]Three-electron integral in a Gaussian basis set with linear termsReceived 26 April 2004; published 27 August 2004 Explicitly correlated Gaussian functions allow an accurate determination of wave functions and energies of a few electron atoms. A recently introduced variant of these functions involving terms linear in the interparticle distances exhibits a faster convergence and correct behavior at coalescence points as shown in pilot calculations for the helium atom. The extension of this method to atoms with more than two electrons requires dealing with a different type of three-electron integral. In this work, we study in detail a generating three-electron integral ∫exp(−∑i,j=13 aijri·rj)∕(r1r2r3)dr1dr2dr3, present a compact analytical form, and analyze its numerical evaluation. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevA.70.022513
DOI:
10.1103/PhysRevA.70.022513
PACS:
31.25.Eb, 31.15.Pf, 02.30.Fn
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