R. P. Brady

collaborators

3 papers

physics.chem-ph2026

Spin-Orbit Induced Non-Adiabatic Dynamics: An Exact $I^c ◯$ -Representation

Ryan P. Brady, Sergei N. Yurchenko

Transforming rovibronic Hamiltonians of molecular systems from the $I^ S$ (Hund's case a) basis to the adiabatic $I^c ◯$ representation is widely used to "remove" spin-orbit coupling (…

astro-ph.EP2026

ExoMol line lists -- LXIII: ExoMol line lists for 12 isotopologues of CO $_{2}$

Sergei N. Yurchenko, Marco G. Barnfield, Charles A. Bowesman +9

Extensive rovibrational line lists are constructed for 12 isotopologues of carbon dioxide: $^{12}$ C $^{16}$ O $_{2}$ , $^{13}$ C $^{16}$ O $_{2}$ , $^{12}$ C $^{17}$ O $_{2}$ , $^{13}$ C $^{17}$ O $_{2}$ , $…

astro-ph.IM2025

Theoretical study of the excited states of NeH and of their non-adiabiatic couplings: a preliminary for the modeling of the dissociative recombination of NeH+

R. Hassaine, D. Talbi, R. P. Brady +3

Potential energy curves and matrix elements of radial non-adiabatic couplings of 2Î£+ and 2Î states of the NeH molecule are calculated using the electronic structure package MOLPRO…

Spin-Orbit Induced Non-Adiabatic Dynamics: An Exact I^c◯-Representation

ExoMol line lists -- LXIII: ExoMol line lists for 12 isotopologues of CO2​

Theoretical study of the excited states of NeH and of their non-adiabiatic couplings: a preliminary for the modeling of the dissociative recombination of NeH+

Spin-Orbit Induced Non-Adiabatic Dynamics: An Exact $I^c ◯$ -Representation

ExoMol line lists -- LXIII: ExoMol line lists for 12 isotopologues of CO $_{2}$