ACCURATE ANALYTICAL SELF-CONSISTENT-FIELD (SCF) HARTREE–FOCK (H–F) WAVE FUNCTIONS FOR SECOND-ROW ATOMS

1 December 1966

journal article
Published by Canadian Science Publishing in Canadian Journal of Physics

Vol. 44 (12) , 3121-3129
https://doi.org/10.1139/p66-256

Abstract

Analytical H–F SCF wave functions have been calculated for the second-row atoms in their ground and lowest excited states. Expectation values for the various one-electron operators evaluated by using these wave functions are also presented. Tables of the basis-function orbital exponents, expansion coefficients, and the orbital energies of all the occupied atomic orbitals are given. Nuclear magnetic shielding constants and the magnetic susceptibilities for these atomic systems are also calculated.

Keywords

This publication has 6 references indexed in Scilit:

Accurate Analytical Self-Consistent Field Functions for Atoms. III. The $1 s^{2} 2 s^{m} 2 p^{n}$ States of Nitrogen and Oxygen and Their Ions
Physical Review B, 1963
Analytical Self-Consistent Field Functions for Positive Ions. II. Isoelectronic Series with 11 to 18 Electrons
The Journal of Chemical Physics, 1963
Analytic Hartree-Fock Wave Functions for the $3 p$ -Shell Atoms
Physical Review B, 1961
Self-Consistent Field Theory for Open Shells of Electronic Systems
Reviews of Modern Physics, 1960
On the Magnetic Shielding in He and $H_{2}$
Physical Review B, 1950
N herungsmethode zur L sung des quantenmechanischen Mehrk rperproblems
The European Physical Journal A, 1930