148 citations · 448 across the 8 of their papers we have counts for
8 papers
Fermi level pinning by defects can explain the large reported carbon 1s binding energy variations in diamond
Michael Walter, Filippo Mangolini, J. Brandon McClimon +2
The quantitative evaluation of the carbon hybridization state by X-ray photoelectron spectroscopy (XPS) has been a surface-analysis problem for the last three decades due to the ch…
Ab-initio wave-length dependent Raman spectra: Placzek approximation and beyond
Michael Walter, Michael Moseler
We analyze how to obtain non-resonant and resonant Raman spectra within the Placzek as well as the Albrecht approximation. Both approximations are derived from the matrix element f…
Charge transfer excitations with range separated functionals using improved virtual orbitals
Rolf Würdemann, Michael Walter
We present an implementation of range separated functionals utilizing the Slater-function on grids in real space in the projector augmented waves method. The screened Poisson equat…
Offset-corrected -Kohn-Sham scheme for the prediction of X-ray photoelectron spectra of molecules and solids
Michael Walter, Michael Moseler, Lars Pastewka
Absolute binding energies of core electrons in molecules and bulk materials can be efficiently calculated by spin paired density-function theory employing a Kohn-Sham (KS) s…
Au40: A Large Tetrahedral Magic Cluster
De-en Jiang, Michael Walter
40 is a magic number for tetrahedral symmetry predicted in both nuclear physics and the electronic jellium model. We show that Au40 could be such a a magic cluster from density fun…
Quantum well states in two-dimensional gold clusters on MgO thin films
X. Lin, N. Nilius, H. -J. Freund +4
The electronic structure of ultra-small Au clusters on thin MgO/Ag(001) films has been analyzed by scanning tunneling spectroscopy and density functional theory. The clusters exhib…