Atomic Wave Functions for the Ground States of Na+, Ne, and F‐

 

Wilm E. Donath

 

• International Business Machines Corporation Watson Laboratory, New York, New York

 

 

ABSTRACT

Calculations of wave functions for the ′S ground states of Na⁵, Ne, and F^‐ which essentially correlate the outer shell are presented here. The ``root'' function in each case is an analytic Hartree‐Fock function. The improved 13‐configuration function yields an improvement in energy of about 50% of the estimated correlation energy.

 

https://sci-hub.se/https://doi.org/10.1063/1.1701221