A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H++ H2→ H2+ H+ exchange reaction
The H++ H 2 exchange reaction has been studied theoretically by means of a different
variety of methods as an exact time independent quantum mechanical, approximate …
variety of methods as an exact time independent quantum mechanical, approximate …
Quantum approaches for the insertion dynamics of the H++ D2 and D++ H2 reactive collisions
H3+ has been carefully studied theoretically and experimentally in the past. One of the
reasons for such interest is based on its importance in interstellar chemistry since it initiates …
reasons for such interest is based on its importance in interstellar chemistry since it initiates …
Near-resonant effects in the quantum dynamics of the H+ H2+→ H2+ H+ charge transfer reaction and isotopic variants
The non-adiabatic quantum dynamics of the H+ H 2+→ H 2+ H+ charge transfer reactions,
and some isotopic variants, is studied with an accurate wave packet method. A recently …
and some isotopic variants, is studied with an accurate wave packet method. A recently …
Study of ab initio molecular data for inelastic and reactive collisions involving the quasimolecule
P Barragan, LF Errea, A Macıas, L Mendez… - The Journal of …, 2004 - pubs.aip.org
The lowest two ab initio potential energy surfaces (PES), and the corresponding
nonadiabatic couplings between them, have been obtained for the H 3+ system; the …
nonadiabatic couplings between them, have been obtained for the H 3+ system; the …
Isotope effect in charge-transfer collisions of slow and ions with , HD, and molecules
T Kusakabe, L Pichl, RJ Buenker, M Kimura… - Physical Review A …, 2004 - APS
Marked characteristics in charge-transfer cross sections between collisions of H+ and D+
ions with H 2, HD, and D 2 molecules, the so-called isotope effect, are observed in the …
ions with H 2, HD, and D 2 molecules, the so-called isotope effect, are observed in the …
New Light Shed on Charge Transfer in Fundamental H+<? format?>+<? format?> H 2 Collisions
X Urbain, N De Ruette, VM Andrianarijaona… - Physical Review Letters, 2013 - APS
There is no consensus on the magnitude and shape of the charge transfer cross section in
low-energy H++ H 2 collisions, in spite of the fundamental importance of these collisions …
low-energy H++ H 2 collisions, in spite of the fundamental importance of these collisions …
Sign-consistent dynamical couplings between ab initio three-center wave functions
LF Errea, L Fernández, A Macıas, L Méndez… - The Journal of …, 2004 - pubs.aip.org
We present a method to ensure the sign consistency of dynamical couplings between ab
initio three-center wave functions. The method also allows to systematically …
initio three-center wave functions. The method also allows to systematically …
Vibronic treatment of vibrational excitation and electron capture in (HD, , …) collisions at low impact energies
We present ab initio calculations of cross sections for vibrational excitation and electron
capture in collisions of H+ with H 2 and its isotopical variants at impact energies between 10 …
capture in collisions of H+ with H 2 and its isotopical variants at impact energies between 10 …
Anisotropy effects in H++H2 collisions
The effect of the anisotropy of the interaction potential on ion-diatom non-adiabatic collisions
is analized by considering the in uence of the anisotropy on orientation averaged total cross …
is analized by considering the in uence of the anisotropy on orientation averaged total cross …
Ab initio calculation of electron-capture cross sections in collisions
We present calculations of electron-capture cross sections in collisions of H+ with BeH
molecules in the energy range 25 eV< E< 10 keV. We discuss the validity of the models …
molecules in the energy range 25 eV< E< 10 keV. We discuss the validity of the models …