Related papers: Photoelectron angular distributions from aligned m…
The R-matrix method has been used for theoretical calculation of electron collision with atoms and molecules for long years. The method was also formulated to treat photoionization process, however, its application has been mostly limited…
We formulate a computationally efficient time-independent method based on the multi-electron molecular R-matrix formalism. This method is used to calculate transition matrix elements for the multi-photon ionization of atoms and molecules…
We show that the combination of two achiral components - atomic or molecular target plus a circularly polarized photon - can yield chirally structured photoelectron angular distributions. For photoionization of CO, the angular distribution…
The multiphoton ionization rate of molecules depends on the alignment of the molecular axis with respect to the ionizing laser polarization. By studying molecular frame photo-electron angular distributions from N$_2$, O$_2$ and benzene, we…
UKRmol+ is a new implementation of the UK R-matrix electron-molecule scattering code. Key features of the implementation are the use of quantum chemistry codes such as Molpro to provide target molecular orbitals; the optional use of mixed…
We present an experimental and theoretical study of core-level ionization of small hetero- and homo-nuclear molecules employing circularly polarized light and address molecular-frame photoelectron angular distributions in the light's…
We present angular distributions of photoelectrons of atomic model systems excited by intense linearly polarized laser pulses in the VUV- and XUV-regime. We solve the multi-dimensional time-dependent Schr\"odinger equation for one particle…
A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original…
The angular distribution of the emitted electrons, following the two--photon ionization of the hydrogen--like ions, is studied within the framework of second order perturbation theory \textit{and} the Dirac equation. Using a density matrix…
We theoretically study how time- and angle-resolved photoemission spectroscopy can be applied for imaging coherent electron dynamics in molecules. We consider a process in which a pump pulse triggers coherent electronic dynamics in a…
We report two schemes to generate perfect anisotropy in the photoelectron angular distribution of a randomly oriented ensemble of polyatomic molecules. In order to exert full control over the anisotropy of photoelectron emission, we exploit…
We present the application of the spherically averaged continuum model to the evaluation of molecular photoelectron and resonant Auger electron spectra. In this model, the continuum wave function is obtained in a numerically efficient way…
X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due…
Most astrophysical plasmas entail a balance between ionization and recombination. We present new results from the powerful R-matrix method which yields in an ab initio manner: (I) self-consistent photoionization and recombination cross…
A general expression for the double differential cross section of fluorescence radiation following photorecombination (PRF) of polarized electrons and polarized ions is derived by using usual atomic theory methods and is represented in the…
A unified scheme using the R-matrix method has been developed for electron-ion recombination subsuming heretofore separate treatments of radiative and dielectronic recombination (RR and DR). The ab initio coupled channel approach unifies…
The angular distribution of the emitted electrons, following the two-photon ionization of the hydrogen-like ions, is studied within the framework of second order perturbation theory and the Dirac equation. Using a density matrix approach,…
We perform numerical simulations for photoionization of the argon atom when exposed to a combined field of an infrared laser (abbreviated IR) and its 13th harmonic (H13) by solving the Time-Dependent Schr\"odinger Equation (TDSE)], noting…
Resonant angle scanned x-ray photoelectron diffraction (RXPD) allows the determination of the atomic and magnetic structure of surfaces and interfaces. For the case of magnetized nickel the resonant L2 excitation with circularly polarized…
Photoelectron circular dichroism refers to the forward/backward asymmetry in the photoelectron angular distribution with respect to the propagation axis of circularly polarized light. It has recently been demonstrated in femtosecond…