Full Ambiguity-Free Quantum Treatment of D11 H 1s Charge Transfer Reactions at Low Energies
نویسندگان
چکیده
Akinori Igarashi1 and C. D. Lin2 1Department of Applied Physics, Faculty of Engineering, Miyazaki University, Miyazaki, 889-2192, Japan 2Department of Physics, Cardwell Hall, Kansas State University, Manhattan, Kansas 66506 (Received 18 May 1999) Cross sections for the nonresonant charge transfer process D 1 H 1s ! D 1s 1 H at low energies are calculated in hyperspherical coordinates. The method is free from all the inherent ambiguities associated with the conventional Born-Oppenheimer approach, such as the incorrect asymptotic energies and spurious couplings. However, like the Born-Oppenheimer approach, we show that hyperspherical potential curves and coupling terms have to be calculated only once to obtain results for all partial waves. Feshbach and shape resonances of HD near the H 1s threshold are also calculated.
منابع مشابه
Investigating the resonance energy and charge transfer in the clonidine and c60-clonidine-fullerene carriers with quantum chemistry calculations
Clonidine has two aromatic rings in which halogens are attached to one ring in this study, both in drug state and in fullerene nanostructure, and by changing the type of halogen at the * HF / 6-31G level and in The gas phase was first optimized and then the NBO calculations were performed. The results obtained in N61, N63 and N5, N3 indicate the highest rhizanese energy and load transfer that, ...
متن کاملA theoretical study on halogen-π interactions: X-C2-Y…C8H8 complexes
M06-2X functional was employed to study halogen-π interactions in X-C2-Y…C8H8 complexes (X, Y=H, F, Cl, and Br). In fact, interactions of mono- or di-halogenated acetylenes and planar cyclooctatetraene as an anti-aromatic π system were considered. Relationship between binding energies of the complexes and charge transfer effects was investigated. Also, electronic charge density values were calc...
متن کاملBistability in the Electric Current through a Quantum-Dot Capacitively Coupled to a Charge-Qubit
We investigate the electronic transport through a single-level quantum-dot which is capacitively coupled to a charge-qubit. By employing the method of nonequilibrium Green's functions, we calculate the electric current through quantum dot at finite bias voltages. The Green's functions and self-energies of the system are calculated perturbatively and self-consistently to the second order of inte...
متن کاملCharge transfer in slow collisions of O8+ and Ar8+ ions with H„1s... below 2 keV/amu
We calculated the charge-transfer cross sections for O8++H collisions for energies from 1 eV/amu to 2 keV/amu, using the recently developed hyperspherical close-coupling method. In particular, the discrepancy for electron capture to the n=6 states of O7+ from the previous theoretical calculations is further analyzed. Our results indicate that at low energies (below 100 eV/amu) electron capture ...
متن کاملCharge transfer and excitation in slow 20 eV–2 keV H+ + D(1s) collisions
We used the recently developed hyperspherical close-coupling method to study H+ + D(1s) collisions at H+ impact energies between 20 eV and 2 keV. We showed that the cross sections for excitation and charge transfer to the 2p states are essentially identical over the whole energy range and stay relatively independent of energy from 2 keV down to about 150 eV. Below 150 eV the cross sections drop...
متن کامل