C.W. Nestor

Calculated ionization potentials for multiply charged ions

Ionization potentials have been calculated for all the elements up to Z = 103for all states of ionization. The calculations are based on a simple spherical shell solution for neutral atoms. The average deviation of the calculated ionization potentials from experimental values was found to be about5%. A simple method is also given for estimating the binding energies of electrons in all shells of a multiply charged ion from the calculated ionization potentials.

Relativistic Hartree-Fock-Slater eigenvalues, radial expectation values, and potentials for atoms, 2 ≤ Z ≤ 126*

Relativistic Hartree-Fock-Slater wavefunctions have been calculated for all elements with Z = 2 to Z = 126. From these wavefunctions we have obtained, and present in tables, the eigenvalues and expectation values of r, 1/r, 1/r3, r2, and r4 for each orbital, the total energy of the atom and the total potential as a function of radius.

Predictions of B(E2; 01+ → 21+) values for even-even nuclei☆

Abstract Adopted values (from a previous compilation) for the energy, E , and the reduced electric quadrupole transition probability, B ( E 2)↑, for the first-excited 2 + state of 276 even-even nuclei are tabulated. The adopted B ( E 2)↑ values are employed to test the various systematic, empirical, and theoretical relationships that have been proposed to exist among these B ( E 2)↑ values on a global, local, or regional basis. On the basis of these systematics, predictions of unmeasured B ( E 2)↑ values for 181 additional nuclei are made in the tabulation.

An effective nucleon-nucleon potential for use in nuclear Hartree-Fock calculations☆

Abstract An effective nucleon-nucleon potential for use in nuclear Hartree-Fock calculations has been constructed from a central potential, a velocity-dependent repulsive potential and tensor and spin-orbit potentials. The principal aim of this work was to determine an effective potential having no “hard-core” singularity, giving the correct energy and density of nuclear matter, and fitting the two-body scattering data as well as possible, consistent with good estimates of nuclear matter properties. An additional requirement was that the second-order contribution to the energy of nuclear matter be small in order to improve the convergence of the perturbation expansion. The results presented in this paper include the parameters determining a family of potentials, the calculated two-body phase shifts, scattering lengths and effective ranges, the quadrupole moment and percentage of the D-state in the deuteron and a calculated effective single-particle potential.

Calculation of K, L, M and N binding energies and K X-rays for elements from Z = 96–120

Abstract Atomic parameters should be of great help in identifying the new superheavy nuclei, since X-rays resulting from internal conversion and electron capture are characteristic of the daughter element; and the energies of internal conversion electrons are dependent on the atomic binding energies. Therefore, the inner-shell binding energies and K X-ray energies for the heavy and superheavy elements have been calculated from solutions of relativistic Hartree-Fock-Slater atomic wave functions employing a finite nuclear size. After adding a small semi-empirical correction, we believe that the final results for X-ray energies are accurate to the order of 0.1%.

Calculation of K and L x rays for elements of Z = 95 to 130

Binding energies for the K, L, M, N, and O shells and the K and L x-ray energies have been determined for elements of Z=95 to 130. The results for 15 elements are based primarily on detailed calculations made with total energies from a Dirac-Fock code of J. P. Desclaux. Special interpolation procedures are used for the remaining elements. In addition, small emirical corrections are added as a result of comparing calculations with experimentally determined binding energies for elements of Z<95. A discussion is given on the uncertainties encountered with the calculations and on the probable errors listed with the results.

Energy shifts of L x-rays from 70≤Z≤90 elements due to multiple M vacancies

The transition energies of L x-rays for states with 0-11 M-shell spectator vacancies are calculated by using a Dirac-Fock computer program. The calculations are done for seven elements with atomic numbers in the 70< or =Z< or =90 range. In each of these elements, the transition energies of 10 L x-rays (L/sub l/, L/sub ..cap alpha..//sub 2/, L/sub ..cap alpha..//sub 1/, L/sub eta/, L/sub ..beta..//sub 1/, L/sub ..gamma..//sub 1/, L/sub ..gamma..//sub 2/, L/sub ..gamma..//sub 3/, L/sub ..gamma..//sub 4//sub prime/, L/sub ..gamma..//sub 4/) are calculated as differences of average-of-configuration energies. The energy shifts of these x-rays for various multiple M vacancy states are deduced from the transition energies and plotted as a function of atomic number.