Roothaan-Hartree-Fock Momentum Expectation Values for Heavy Elements (Z = 55-92)

Details Roothaan-Hartree-Fock Momentum Expectation Values for Heavy Elements (Z = 55-92) Roothaan-Hartree-Fock Momentum Expectation Values for Heavy Elements (Z = 55-92)

Nov 1994

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1994adndt..58..307g&link_type=abstract

Atomic Data and Nuclear Data Tables, Volume 58, Issue 2, p. 307-315.

Computer Science

5

Scientific paper

Momentum expectation values for t = -2, -1, 0, 1, 2, 3, and 4 are computed for some ions and excited states of heavy atoms (Z = 55-92) by applying analytical formulas to the nonrelativistic Roothaan-Hartree-Fock wave functions of McLean and McLean. Some comparisons are made with results from numerical quadrature methods using relativistic as well as nonrelativistic wave functions.

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