arXiv subjects

Joachim Burgdörfer

Publications and source records attributed to Joachim Burgdörfer.

56 records · Page 4Linked to original sources

arXiv2006

Determination of Compton profiles at solid surfaces from first-principles calculations

Projected momentum distributions of electrons, i.e. Compton profiles above the topmost atomic layer have recently become experimentally accessible by kinetic electron emission in grazing-incidence scattering of atoms at atomically flat single crystal metal surfaces. Sub-threshold emission by slow projectiles was shown to be sensitive to high-momentum components of the local Compton profile near the surface. We present a method to extract momentum distribution, Compton profiles, and Wigner and Husimi phase space distributions from ab-initio density-functional calculations of electronic structure. An application for such distributions to scattering experiments is discussed.

cond-mat.other↗

arXiv2005

Calculating state-to-state transition probabilities within TDDFT

The determination of the elements of the S-matrix within the framework of time-dependent density-functional theory (TDDFT) has remained a widely open question. We explore two different methods to calculate state-to-state transition probabilities. The first method closely follows the extraction of the S-matrix from the time-dependent Hartree-Fock approximation. This method suffers from cross-channel correlations resulting in oscillating transition probabilities in the asymptotic channels. An alternative method is proposed which corresponds to an implicit functional in the time-dependent density. It gives rise to stable and accurate transition probabilities. An exactly solvable two-electron system serves as benchmark for a quantitative test.

quant-ph↗