Time-dependent multiconfiguration methods for the numerical simulation of photoionization processes of many-electron atoms
Numerical simulations present an indispensable way to the understanding of complex
physical processes. In quantum mechanics where the theoretical description is given in …
physical processes. In quantum mechanics where the theoretical description is given in …
Alignment-Dependent Ionization of , , and in Intense Laser Fields
The ionization probability of N 2, O 2, and CO 2 in intense laser fields is studied theoretically
as a function of the alignment angle by solving the time-dependent Schrödinger equation …
as a function of the alignment angle by solving the time-dependent Schrödinger equation …
Determination of structure parameters in strong-field tunneling ionization theory of molecules
In the strong field molecular tunneling ionization theory of Tong [Phys. Rev. A 66, 033402
(2002)], the ionization rate depends on the asymptotic wave function of the molecular orbital …
(2002)], the ionization rate depends on the asymptotic wave function of the molecular orbital …
Multichannel coherence in strong-field ionization
N Rohringer, R Santra - Physical Review A—Atomic, Molecular, and Optical …, 2009 - APS
Atomic and molecular ions generated by a strong optical laser pulse are not in general in the
electronic ground state. The density matrix for such ions is characterized by the electronic …
electronic ground state. The density matrix for such ions is characterized by the electronic …
Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory
We present a time-dependent density-functional method able to describe the photoelectron
spectrum of atoms and molecules when excited by laser pulses. This computationally …
spectrum of atoms and molecules when excited by laser pulses. This computationally …
Multi-channel dynamics in high harmonic generation of aligned CO 2: ab initio analysis with time-dependent B-spline algebraic diagrammatic construction
Here we present a fully ab initio study of the high-order harmonic generation (HHG)
spectrum of aligned CO2 molecules. The calculations have been performed by using the …
spectrum of aligned CO2 molecules. The calculations have been performed by using the …
Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics
C Huber, T Klamroth - The Journal of chemical physics, 2011 - pubs.aip.org
We report explicitly time-dependent coupled cluster singles doubles (TD-CCSD)
calculations, which simulate the laser-driven correlated many-electron dynamics in …
calculations, which simulate the laser-driven correlated many-electron dynamics in …
Hybrid-basis close-coupling interface to quantum chemistry packages for the treatment of ionization problems
The theoretical description of observables in attosecond pump–probe experiments requires
a good representation of the system's ionization continuum. For polyelectronic molecules …
a good representation of the system's ionization continuum. For polyelectronic molecules …
Strong field ionization to multiple electronic states in water
JP Farrell, S Petretti, J Förster, BK McFarland… - Physical review …, 2011 - APS
High harmonic spectra show that laser-induced strong field ionization of water has a
significant contribution from an inner-valence orbital. Our experiment uses the ratio of H 2 O …
significant contribution from an inner-valence orbital. Our experiment uses the ratio of H 2 O …
Comparison of TD-DFT methods for the calculation of two-photon absorption spectra of oligophenylvinylenes
We investigate the accuracy of different formalisms within density functional theory in
prediction of two-photon absorption (2PA) spectra for substituted oligophenylvinylenes …
prediction of two-photon absorption (2PA) spectra for substituted oligophenylvinylenes …