2.4k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Max Planck SocietyDE178 papers
- Freie Universität BerlinDE80 papers
- Centre National de la Recherche ScientifiqueFR67 papers
- University of the Basque CountryES53 papers
- Technische Universität BerlinDE51 papers
- Goethe University FrankfurtDE42 papers
- Deutsches Elektronen-Synchrotron DESYDE39 papers
- Humboldt-Universität zu BerlinDE37 papers
- Material Physics CenterES36 papers
- Max Planck Institute for the Structure and Dynamics of MatterDE35 papers
- Technical University of MunichDE31 papers
- Lawrence Berkeley National LaboratoryUS30 papers
8 papers · 2 filters
Scattering resonances in slow NH-He collisions
Koos B. Gubbels, Sebastiaan Y. T. van de Meerakker, Gerrit C. Groenenboom +2
We theoretically study slow collisions of NH molecules with He atoms, where we focus in particular on the observation of scattering resonances. We calculate state-to-state inte…
Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation
M. Hellgren, D. R. Rohr, E. K. U. Gross
Self-consistent correlation potentials for H and LiH for various inter-atomic separations are obtained within the random phase approximation (RPA) of density functional theory.…
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller +1
We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solv…
Supersymmetry identifies molecular Stark states whose eigenproperties can be obtained analytically
Mikhail Lemeshko, Mustafa Mustafa, Sabre Kais +1
We made use of supersymmetric (SUSY) quantum mechanics to find a condition under which the Stark effect problem for a polar and polarizable closed-shell diatomic molecule subject t…
Supersymmetric factorization yields exact solutions to the molecular Stark effect problem for "stretched" states
Mikhail Lemeshko, Mustafa Mustafa, Sabre Kais +1
By invoking supersymmetry, we found a condition under which the Stark effect problem for a polar and polarizable molecule subject to nonresonant electric fields becomes exactly sol…
Stark-selected beam of ground-state OCS molecules characterized by revivals of impulsive alignment
Jens H. Nielsen, Paw Simesen, Christer Z. Bisgaard +5
We make use of an inhomogeneous electrostatic dipole field to impart a quantum-state-dependent deflection to a pulsed beam of OCS molecules, and show that those molecules residing…
Theoretical description of adiabatic laser alignment and mixed-field orientation: the need for a non-adiabatic model
J. J. Omiste, M. Gärttner, P. Schmelcher +5
We present a theoretical study of recent laser-alignment and mixed-field-orientation experiments of asymmetric top molecules. In these experiments, pendular states were created usi…
Charge-transfer in time-dependent density-functional theory via spin-symmetry-breaking
Johanna I. Fuks, Angel Rubio, Neepa T. Maitra
Long-range charge-transfer excitations pose a major challenge for time-dependent density functional approximations. We show that spin-symmetry-breaking offers a simple solution for…