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Aufsatz
Accurate Hartree-Fock-Slater calculations on small diatomic molecules with the finite-element method
(1988)
We report on the self-consistent field solution of the Hartree-Fock-Slater equations using the finite-element method for the three small diatomic molecules N_2, BH and CO as examples. The quality of the results is not only better by two orders of magnitude than the fully numerical finite difference method of Laaksonen et al. but the method also requires a smaller number of grid points.
Aufsatz
Theme group 6: Mathematics and other subjects
(Hirst, Ann (Hrsg.), 1988)
Aufsatz
Hyperfine structure and isotopic shift of the n^2 P_J levels (n = 7-10) of ^203,205 TI measured by Doppler-free two-photon spectroscopy
(1988)
Using Doppler-free two-photon absorption spectroscopy, we have measured hyperfine splitting constants as well as isotopic level shifts of the 6s^2 np ^2 P_l/2,3/2 states in (n=7-10) in ^203 TI and ^205 TI.
Calculations for hyperfine constants and electron density at the nucleus have been performed by the Dirac-Fock method. The experimental results are compared with these calculations as well as with
the predictions of the semiempirical theory.