Accurate charge densities and two-electron intracule functions for the heliumlike ions
- 1 August 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 67 (3) , 1191-1196
- https://doi.org/10.1063/1.434974
Abstract
Integral formulas necessary to compute charge densities and intracule functions from explicitly correlated wavefunctions of the form ψ (r1, r2, r12) = (4π)−1ΣNk=1ck(1 ±P12) exp(−αkr1−βkr2−γkr12) are derived. They are applied to such wavefunctions recently computed by us for the ground states of the heliumlike ions from H− through Mg10+. An analysis of the resulting distribution functions is given. A simple method for obtaining reasonable approximations to an intracule function from its moments is developed.This publication has 22 references indexed in Scilit:
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