ترغب بنشر مسار تعليمي؟ اضغط هنا

Potential splitting approach for molecular systems

53   0   0.0 ( 0 )
 نشر من قبل Evgeny Yarevsky
 تاريخ النشر 2019
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

In order to describe few-body scattering in the case of the Coulomb interaction, an approach based on splitting the reaction potential into a finite range part and a long range tail part is presented. The solution to the Schrodinger equation for the long range tail is used as an incoming wave in an inhomogeneous Schrodinger equation with the finite range potential. The resulting equation with asymptotic outgoing waves is then solved with the exterior complex scaling. The potential splitting approach is illustrated with calculations of scattering processes in the H${}^+$ -- H${}^+_2$ system considered as the three-body system with one-state electronic potential surface.

قيم البحث

اقرأ أيضاً

We present calculations of the one-loop vacuum polarization correction (Uehling potential) for the three-body problem in the NRQED formalism. The case of one-electron molecular systems is considered. Numerical results of the vacuum polarization contr ibution at m$alpha$7 and higher orders for the fundamental transitions (v = 0, L = 0) $rightarrow$ (v = 1, L = 0) in the H2+ and HD+ molecular ions are presented and compared with calculations performed in the adiabatic approximation. The residual uncertainty from this contribution on the transition frequencies is shown to be of a few tens of Hz.
An approach based on splitting the reaction potential into a finite range part and a long range tail part to describe few-body scattering in the case of a Coulombic interaction is proposed. The solution to the Schrodinger equation for the long range tail of the reaction potential is used as an incoming wave. This reformulation of the scattering problem into an inhomogeneous Schrodinger equation with asymptotic outgoing waves makes it suitable for solving with the exterior complex scaling technique. The validity of the approach is analyzed from a formal point of view and demonstrated numerically, where the calculations are performed with the finite element method. The method of splitting the potential in this way is illustrated with calculations of the electron scattering on the hydrogen atom and the positive helium ion in energy regions where resonances appear.
The study of scattering processes in few body systems is a difficult problem especially if long range interactions are involved. In order to solve such problems, we develop here a potential-splitting approach for three body systems. This approach is based on splitting the reaction potential into a finite range core part and a long range tail part. The solution to the Schrodinger equation for the long range tail Hamiltonian is found analytically, and used as an incoming wave in the three body scattering problem. This reformulation of the scattering problem makes it suitable for treatment by the exterior complex scaling technique in the sense that the problem after the complex dilation is reduced to a boundary value problem with zero boundary conditions. We illustrate the method with calculations on the electron scattering off the hydrogen atom and the positive helium ion in the frame of the Temkin-Poet model.
We present a quantum logic scheme to detect atomic and molecular ions in different states of angular momentum based on their magnetic $g$-factors. The state-dependent magnetic $g$-factors mean that electronic, rotational or hyperfine states may be di stinguished by their Zeeman splittings in a given magnetic field. Driving motional sidebands of a chosen Zeeman splitting enables reading out the corresponding state of angular momentum with an auxillary logic ion. As a proof-of-principle demonstration, we show that we can detect the ground electronic state of a ${^{174}}$Yb$^+$ ion using ${^{171}}$Yb$^+$ as the logic ion. Further, we can distinguish between the ${^{174}}$Yb$^+$ ion being in its ground electronic state versus the metastable ${^{2}}D_{3/2}$ state. We discuss the suitability of this scheme for the detection of rotational states in molecular ions.
342 - Michel Peters 2012
We explore the laser-induced ionization dynamics of N2 and CO2 molecules subjected to a few-cycle, linearly polarized, 800,nm laser pulse using effective two-dimensional single active electron time-dependent quantum simulations. We show that the elec tron recollision process taking place after an initial tunnel ionization stage results in quantum interference patterns in the energy resolved photo-electron signals. If the molecule is initially aligned perpendicular to the field polarization, the position and relative heights of the associated fringes can be related to the molecular geometrical and orbital structure, using a simple inversion algorithm which takes into account the symmetry of the initial molecular orbital from which the ionized electron is produced. We show that it is possible to extract inter-atomic distances in the molecule from an averaged photon-electron signal with an accuracy of a few percents.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا