activity
20122026
most citedMachine Learning Molecular Dynamics for the Simulation of Infrared Spectra

519 citations · 3k across the 38 of their papers we have counts for

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Showing 2016Show all

5 papers · 1 filter

physics.chem-ph2016★ 25 cited

Nonadiabatic dynamics and multiphoton resonances in strong field molecular ionization with few cycle laser pulses

Vincent Tagliamonti, Péter Sándor, Arthur Zhao +3

We study strong field molecular ionization using few- (four to ten) cycle laser pulses. Employing a supercontinuum light source, we are able to tune the optical laser wavelength (p…

physics.chem-ph2016★ 36 cited

Strong Field Molecular Ionization in the Impulsive Limit: Freezing Vibrations with Short Pulses

Péter Sándor, Vincent Tagliamonti, Arthur Zhao +4

We study strong-field molecular ionization as a function of pulse duration. Experimental measurements of the photoelectron yield for a number of molecules reveal competition betwee…

physics.chem-ph2016★ 41 cited

Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

Sebastian Mai, Thomas Müller, Felix Plasser +3

An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the CO…

physics.chem-ph2016★ 39 cited

The DNA Nucleobase Thymine in Motion - Intersystem Crossing Simulated with Surface Hopping

Sebastian Mai, Martin Richter, Philipp Marquetand +1

We report ab initio excited-state dynamics simulations on isolated thymine to investigate the mechanism of intersystem crossing, based on CASSCF potential energy surfaces and the \…

physics.chem-ph2016★ 24 cited

Direct Observation of Molecular Oxygen Production from Carbon Dioxide

Seyedreza Larimian, Sonia Erattupuzha, Sebastian Mai +5

Oxygen () is one of the most important elements required to sustain life. The concentration of on Earth has been accumulated over millions of years and has a direct conn…