[EN]Multichannel scattering calculations are presented for the low-energy collisions of the OH+ cation and He atoms, using an ab initio evaluation of the interaction potential, which had been obtained in earlier work, and a time-independent, multichannel treatment of the quantum dynamics carried out in this study using our in-house scattering code ASPIN. Given the presence of spin-rotation coupling effects, within an essentially electrostatic formulation of the interaction forces with He atoms in the trap, the ensuing propensity rules which control the relative size of the state-changing cross sections and of the corresponding inelastic rates, also computed at the most likely temperatures in an ion trap, are presented and analysed in detail
Using accurate ab initio calculations of the interaction forces, we employ a quantum mechanical desc...
A newly computed potential energy surface, which describes the forces at play between the OH−(X1Σ+) ...
Parity resolved state-to-state cross sections for rotational excitation of OH(X¿2¿) colliding with H...
[EN]We present quantum scattering calculations for rotational state-changing cross sections and rate...
We present in this paper a detailed theoretical and computational analysis of the quantum inelastic ...
[EN]Using the ab initio computed potential energy surface for the electronic interaction of the MgH+...
We have studied the fundamental rotational relaxation and excitation collision of OHˉJ = 0 ↔ 1 with ...
An ab initio computed potential energy surface is employed to evaluate the interaction of the OH+(3Σ...
We employ potential energy surfaces (PES) from ab initio quantum chemistry methods to describe the i...
The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisi...
[EN]Ab initio calculations are employed to generate the rigid rotor (RR) potential energy surface (P...
We present an extensive range of quantum calculations for the state-changing rotational dynamics inv...
We use accurate quantum mechanical calculations to analyze the effects of parallel electric and magn...
We discuss in detail the quantum rotationally inelastic dynamics of an important anion often discuss...
Rates for rotational excitation of HC3N by collisions with He atoms and H2 molecules are computed fo...
Using accurate ab initio calculations of the interaction forces, we employ a quantum mechanical desc...
A newly computed potential energy surface, which describes the forces at play between the OH−(X1Σ+) ...
Parity resolved state-to-state cross sections for rotational excitation of OH(X¿2¿) colliding with H...
[EN]We present quantum scattering calculations for rotational state-changing cross sections and rate...
We present in this paper a detailed theoretical and computational analysis of the quantum inelastic ...
[EN]Using the ab initio computed potential energy surface for the electronic interaction of the MgH+...
We have studied the fundamental rotational relaxation and excitation collision of OHˉJ = 0 ↔ 1 with ...
An ab initio computed potential energy surface is employed to evaluate the interaction of the OH+(3Σ...
We employ potential energy surfaces (PES) from ab initio quantum chemistry methods to describe the i...
The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisi...
[EN]Ab initio calculations are employed to generate the rigid rotor (RR) potential energy surface (P...
We present an extensive range of quantum calculations for the state-changing rotational dynamics inv...
We use accurate quantum mechanical calculations to analyze the effects of parallel electric and magn...
We discuss in detail the quantum rotationally inelastic dynamics of an important anion often discuss...
Rates for rotational excitation of HC3N by collisions with He atoms and H2 molecules are computed fo...
Using accurate ab initio calculations of the interaction forces, we employ a quantum mechanical desc...
A newly computed potential energy surface, which describes the forces at play between the OH−(X1Σ+) ...
Parity resolved state-to-state cross sections for rotational excitation of OH(X¿2¿) colliding with H...