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

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.