50 citations · 102 across the 6 of their papers we have counts for
12 papers
Rovibrational energy levels of HO by quantum computing
Erik Lötstedt, Tamás Szidarovszky
We calculate rovibrational energy levels of HO using a trapped-ion quantum computer. We first derive the qubit form of Watson's Hamiltonian, including the rovibrational couplin…
Ab initio study on the dynamics and spectroscopy of collective rovibrational polaritons
Tamás Szidarovszky
Accurate rovibrational molecular models are employed to gain insight in high-resolution into the collective effects and intermolecular processes arising when molecules in the gas p…
Pauli principle in polaritonic chemistry
Tamás Szidarovszky
The consequences of enforcing permutational symmetry, as required by the Pauli principle (spin-statistical theorem), on the state space of molecular ensembles interacting with the…
An efficient and flexible approach for computing rovibrational polaritons from first principles
Tamás Szidarovszky
A theoretical framework is presented for the computation of rovibrational polaritonic states of a molecule in a lossless infrared (IR) microcavity. In the proposed approach the qua…
A quantum-chemical perspective on the laser-induced alignment and orientation dynamics of the CHX (X = F, Cl, Br, I) molecules
Irén Simkó, Kalyani Chordiya, Attila G. Császár +2
The laser-induced alignment-and-orientation (A&O) dynamics of the prolate symmetric top CHX (X = F, Cl, Br, I) molecules is investigated, with particular emphasis on the effect…
Nonadiabatic phenomena in molecular vibrational polaritons
Tamás Szidarovszky, Péter Badankó, Gábor J. Halász +1
Nonadiabatic phenomena are investigated in the rovibrational motion of molecules confined in an infrared cavity. Conical intersections (CIs) between vibrational polaritons, similar…