https://doi.org/10.1140/epjd/e2003-00142-5
A theoretical study on electron transfer in low-energy collisions of a collinear meta-stable Na3+ with a Na
1
Laboratoire de Physique des Solides,
Université Paris-Sud, 91405 Orsay Cedex, France
2
College of Science and Technology Nihon University,
Funabashi 274-8501, Japan
Corresponding author: a mooming@phys.ge.cst.nihon-u.ac.jp
Received:
10
September
2002
Published online:
3
July
2003
Electron transfer
in the collisions of a Na with a Na
is theoretically studied.
It is assumed that
the target Na
is collinear (
) and that
its electronic state is
meta-stable triplet (
) state.
Adiabatic potential energy surfaces
and non-adiabatic couplings of the Na
system
are calculated
by using a semi-empirical
diatomics-in-molecules (DIM) method.
The positions of (avoided)-crossings
of potential surfaces
are investigated
and
the non-adiabatic couplings between
two different electronic states are calculated.
An avoided crossing is
found in the region where the separation
between the target and projectile is
relatively large (10–15 bohr).
A dynamical calculation demonstrates that
this crossing causes charge transfer
between the target and projectile.
Another intersection
at a smaller separation
changes the target's spin state
(from triplet state to singlet state or
vice versa).
The cross-sections for charge and spin transfer reaction
are estimated at the collision energy of 6.8 keV.
It is found that the charge transfer cross-section is extremely
enhanced when the target cluster ion is in its meta-stable
triplet state comared to the case where the cluster is the ground
singlet state.
PACS: 36.40.-c – Atomic and molecular clusters / 36.40.Cg – Electronic and magnetic properties of clusters / 34.70.+e – Charge transfer
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003