The optical properties of Si quantum dots (QDs) with phosphorous and aluminum dopants have been calculated with the recently tested Heyd-Scuseria-Ernzerhof (HSE) density functionals to ascertain the effect of functional corrections to electronic self-interaction. New results have been obtained for 20 crystalline and amorphous structures of Si(29) and Si(35) quantum dots and are compared to our previous results obtained using the PW91∕PW91 functionals. The bandgaps are greater in magnitude and shifted to higher energies in HSE calculations compared to PW91 calculations, and the absorption spectrum is blueshifted in HSE. Trends in the shifts of absorbances due to doping are similar for both sets of calculations, with doped QDs absorbing at lower photon energies than undoped QDs. Consistent with previous results, the bandgaps of QDs are found to decrease as the size of the QD increases, and the absorption spectra of amorphous QDs are redshifted compared to those of crystalline structures. The molecular orbitals involved in the transitions with the largest oscillator strengths show that the electron density moves towards the surface of the quantum dot as the structure is excited. The lifetimes of photoexcited states were found to differ substantially between the two functionals due to their sensitivity to the overlaps of initial and final orbitals. Comparison with available experimental and independent theoretical results supports the conclusion that the HSE functional better matches experimental results due to the partial inclusion of Hartree-Fock exchange.

Quantum inversion theory has been applied to theSchrodinger operator and is used to obtain NN potentials to partial wave phase shifts. We solved the Gelfand-Levitan and Marchenko fundamental inversion equations and determined from the output-kernels the energy independent and local r-space potentials. The results are based on phase shift data from experimental and theoretical sources where a point charge Coulomb reference potential was added for pp data. Potentials are given for the single channel ' S o , ' P I , ID,, I F 3 , 'Po, 3P1, 3D,, 'F, and the coupled channel 3SD,, )PF, configuration. For a comparison of inversion and mesonic potentials also the half-off-shell K-matrices and deuteron bound state wave functions were calculated.

Two nucleon t-matrices, on-and half off-shell, of experiment and theory are used to put expectations into new Bremsstrahlung experiments on a realistic basis. A report is given about comprehensive studies of pp Bremsstrahlung which includes a reanalysis of TRIUMF data and other data of non coplanar geometry experiments. The Bremsstrahlung amplitudes associated with external, rescattering and exchange currents, by exact treatment of the Coulomb potential in on-and half-off-shell t-matrices, and the relativistic spin corrections were all computed and for both coplanar and non coplanar geometries.

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