60 citations · 194 across the 9 of their papers we have counts for
9 papers
Efficient, direct calculation of reaction rate coefficients based on a partially rearranged rovibrational Hamiltonian. A full-dimensional case study of the H + D HD + H reaction
Gábor A. Ecseri, Attila G. Császár, Csaba Fábri
It is shown that an efficient, direct, and fully quantum mechanical calculation of thermal reaction rate coefficients requires a new, partially rearranged form of the numerically-c…
The rovibrational Aharonov-Bohm effect
Jonathan I. Rawlinson, Csaba Fábri, Attila G. Császár
Another manifestation of the Aharonov-Bohm effect is introduced to chemistry, in fact to nuclear dynamics and high-resolution molecular spectroscopy. As demonstrated, the overall r…
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…
Exactly solvable 1D model explains the low-energy vibrational level structure of protonated methane
Jonathan I. Rawlinson, Csaba Fábri, Attila G. Császár
A new one-dimensional model is proposed for the low-energy vibrational quantum dynamics of CH5+ based on the motion of an effective particle confined to a 60-vertex graph …
An improved rovibrational linelist of formaldehyde, \spec{h212c16o}
Afaf R. Al-Derzi, Jonathan Tennyson, Sergei N. Yurchenko +7
Published high-resolution rotation-vibration transitions of \spec{h212c16o}, the principal isotopologue of methanal, are analyzed using the MARVEL (Measured Active Rotation-Vibrati…
MARVEL analysis of the measured high-resolution spectra of NH
Daniel Darby-Lewis, Het Shah, Dhyeya Joshi +8
Rovibronic energy levels are determined for four low-lying electronic states (\X, \A, \Sa, and \Sc) of the imidogen free radical (NH) using the \Marvel\ (Measured Active Rot…
Rovibronic spectra of molecules dressed by light fields
Tamás Szidarovszky, Attila G. Császár, Gábor J. Halász +1
The theory of rovibronic spectroscopy of light-dressed molecules is presented within the framework of quantum mechanically treated molecules interacting with classical light fields…
MARVEL analysis of the measured high-resolution rovibrational spectra of C2H2
Katy L. Chubb, Megan Joseph, Jack Franklin +9
Rotation-vibration energy levels are determined for the electronic ground state of the acetylene molecule, CH, using the Measured Active Rotational-Vibrational Energ…
Definitive ideal-gas thermochemical functions of the HO molecule
Tibor Furtenbacher, Tamás Szidarovszky, Jan Hruby +5
(), of the HO molecule is reported for temperatures between 0 and 6000 K. Determination of () is principally based on the direct summatio…