20 citations · 39 across the 8 of their papers we have counts for
8 papers
Rothe's Method for Quantum Dynamics in Atoms and Molecules with Gaussian Wavepackets
Simon Elias Schrader, Håkon Emil Kristiansen, Aleksander P. Wozniak +3
Capable of capturing both bound and continuum quantum dynamics, Gaussian wavepackets are highly attractive basis functions for simulating laser-driven processes in atoms and molecu…
Binding of native DNA to MoS nanoflakes: the role of defects and edge atoms of MoS nanostructures in their biofunctionalization
Alexander Glamazda, Evgeniya Usenko, Anastasiia Svidzerska +7
In this work, the binding of native DNA to MoS nanoflakes (FLs) was studied by using UV-visible absorption spectroscopy, thermal denaturation method, transmission electron mi…
Rothe Time Propagation for Coupled Electronic and Rovibrational Quantum Dynamics
Aleksander P. Woźniak, Ludwik Adamowicz, Thomas Bondo Pedersen +1
When time-propagating a wave packet representing a molecular system interacting with strong attosecond laser pulses, one needs to use an approach that is capable of describing intr…
Gaussians for Electronic and Rovibrational Quantum Dynamics
Aleksander P. Woźniak, Ludwik Adamowicz, Thomas Bondo Pedersen +1
The assumptions underpinning the adiabatic Born-Oppenheimer (BO) approximation are broken for molecules interacting with attosecond laser pulses, which generate complicated coupled…
No need for a grid: Adaptive fully-flexible gaussians for the time-dependent Schrödinger equation
Simen Kvaal, Caroline Lasser, Thomas Bondo Pedersen +1
Linear combinations of complex gaussian functions, where the linear and nonlinear parameters are allowed to vary, are shown to provide an extremely flexible and effective approach…
Laser-induced dynamic alignment of the HD molecule without the Born-Oppenheimer approximation
Ludwik Adamowicz, Simen Kvaal, Caroline Lasser +1
Laser-induced molecular alignment is well understood within the framework of the Born-Oppenheimer (BO) approximation Without the BO approximation, however, the concept of molecular…
Modeling of nucleobase/oligonucleotide interaction with graphene and graphene oxide: the role of charging and/or oxidizing the graphene surface
M. V. Karachevtsev, S. G. Stepanian, L. Adamowicz +1
We analyze the influence of the charge and the degree of oxidation of the surface of graphene (Gr) on its interaction with cytosine and oligonucleotide r(C)10. This is a computatio…
Visible line intensities of the triatomic hydrogen ion from experiment and theory
Annemieke Petrignani, Max H. Berg, Florian Grussie +7
The visible spectrum of H3+ is studied using high-sensitivity action spectroscopy in a cryogenic radiofrequency multipole trap. Advances are made to measure the weak ro-vibrational…