Orbital and Total Atomic Momentum Expectation Values with Roothaan-Hartree-Fock Wave Functions

Details Orbital and Total Atomic Momentum Expectation Values with Roothaan-Hartree-Fock Wave Functions Orbital and Total Atomic Momentum Expectation Values with Roothaan-Hartree-Fock Wave Functions

May 1993

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1993adndt..54....1g&link_type=abstract

Atomic Data and Nuclear Data Tables, Volume 54, Issue 1, p. 1-51.

Computer Science

4

Scientific paper

Orbital and total momentum expectation values are computed using the
Roothaan-Hartree-Fock wave functions of Clementi and Roetti. These
values are calculated analytically and may be used to study the quality
of basis sets. Tabulations for ground and excited states of atoms from Z
= 2 to Z = 54 are presented.

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