168 citations · 381 across the 13 of their papers we have counts for
13 papers
Effective Core Potentials for calculations of continuum spectra of molecules using the molecular R-matrix method
Zdenek Masin, Jakub Benda, Martin Crhan +4
Implementation of Effective Core Potentials (ECPs) into the molecular scattering suite UKRmol+ is presented together with a set of calculations for a range of targets relevant for…
Angular momentum dependence in multiphoton ionization and attosecond time delays
Jakub Benda, Zdeněk Mašín, Sreelakshmi Palakkal +3
Attosecond ionization time-delays at photoelectron energies above typically 10 eV are usually interpreted using the so called asymptotic approximation as a sum of the atomic or mol…
Anisotropy parameters for two-color photoionization phases in randomly oriented molecules: theory and experiment in methane and deuteromethane
Dominik Ertel, David Busto, Ioannis Makos +8
We present a combined theoretical and experimental work investigating the angle-resolved phases of the photoionization process driven by a two-color field consisting of an attoseco…
UKRmol-scripts: a Perl-based system for the automated operation of the photoionization and electron/positron scattering suite UKRmol+
Karel Houfek, Jakub Benda, Zdeněk Mašín +4
UKRmol-scripts is a set of Perl scripts to automatically run the UKRmol+ codes, a complex software suite based on the R-matrix method to calculate fixed-nuclei photoionization and…
Dipole-laser coupling delay in two-color (RABBITT) photoionization of polar molecules
Jakub Benda, Zdeněk Mašín
We study theoretically the reconstruction of attosecond beating by interference of two-photon transitions (RABBITT) in strongly polar molecules. The time-dependent energy of a pola…
Multi-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach
Jakub Benda, Zdeněk Mašín
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 elemen…
Analysis of RABITT time delays using the stationary multi-photon molecular R-matrix approach
Jakub Benda, Zdeněk Mašín, Jimena D. Gorfinkiel
We employ the recently developed multi-photon R-matrix method for molecular above-threshold photoionization to obtain second-order ionization amplitudes that govern the interferenc…
Benchmark Calculations of Electron Impact Electronic Excitation of the Hydrogen Molecule
T. Meltzer, J. Tennyson, Z. Mašín +4
We present benchmark integrated and differential cross-sections for electron collisions with H using two different theoretical approaches, namely, the R-matrix and molecular co…
UKRmol+: a suite for modelling of electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method
Zdeněk Mašín, Jakub Benda, Jimena D. Gorfinkiel +2
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 pr…
RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses
Andrew Brown, Greg Armstrong, Jakub Benda +6
RMT is a program which solves the time-dependent Schrodinger equation for general, multielectron atoms, ions and molecules interacting with laser light. As such it can be used to m…
Electron correlations and pre-collision in the re-collision picture of high harmonic generation
Zdeněk Mašín, Alex G. Harvey, Michael Spanner +3
We discuss the seminal three-step model and the recollision picture in the context of high harmonic generation in molecules. In particular, we stress the importance of multi-electr…
General theory of photoexcitation induced photoelectron circular dichroism
Alex G Harvey, Zdeněk Mašín, Olga Smirnova
The photoionization of chiral molecules prepared in a coherent superposition of excited states can give access to the underlying chiral coherent dynamics in a procedure known as ph…
Photoexcitation Circular Dichroism in Chiral Molecules
S. Beaulieu, A. Comby, D. Descamps +13
Chirality is ubiquitous in nature and fundamental in science, from particle physics to metamaterials.The most established technique of chiral discrimination - photoabsorption circu…