Based on the analytic model of Feshbach resonances in harmonic traps described in Phys. Rev. A 83, 030701 (2011) a Bose-Hubbard model is introduced that provides an accurate description of two atoms in an optical lattice at a Feshbach resonance with
only a small number of Bloch bands. The approach circumvents the problem that the eigenenergies in the presence of a delta-like coupling do not converge to the correct energies, if an uncorrelated basis is used. The predictions of the Bose-Hubbard model are compared to non-perturbative calculations for both the stationary states and the time-dependent wavefunction during an acceleration of the lattice potential. For this purpose, a square-well interaction potential is introduced, which allows for a realistic description of Feshbach resonances within non-perturbative single-channel calculations.
A theoretical approach for a non-perturbative dynamical description of two interacting atoms in an optical lattice potential is introduced. The approach builds upon the stationary eigenstates found by a procedure described in Grishkevich et al. [Phys
. Rev. A 84, 062710 (2011)]. It allows presently to treat any time-dependent external perturbation of the lattice potential up to quadratic order. Example calculations of the experimentally relevant cases of an acceleration of the lattice and the turning-on of an additional harmonic confinement are presented.
We represent low dimensional quantum mechanical Hamiltonians by moderately sized finite matrices that reproduce the lowest O(10) boundstate energies and wave functions to machine precision. The method extends also to Hamiltonians that are neither Her
mitian nor PT symmetric and thus allows to investigate whether or not the spectra in such cases are still real. Furthermore, the approach is especially useful for problems in which a position-dependent mass is adopted, for example in effective-mass models in solid-state physics or in the approximate treatment of coupled nuclear motion in molecular physics or quantum chemistry. The performance of the algorithm is demonstrated by considering the inversion motion of different isotopes of ammonia molecules within a position-dependent-mass model and some other examples of one- and two-dimensional Hamiltonians that allow for the comparison to analytical or numerical results in the literature.
We propose a scheme for quantum computation in optical lattices. The qubits are encoded in the spacial wavefunction of the atoms such that spin decoherence does not influence the computation. Quantum operations are steered by shaking the lattice whil
e qubit addressability can be provided with experimentally available techniques of changing the lattice with single-site resolution. Numerical calculations show possible fidelities above 99% with gate times on the order of milliseconds.
A theoretical study of the intense-field multiphoton ionization of hydrogenlike systems is performed by solving the time-dependent Dirac equation within the dipole approximation. It is shown that the velocity-gauge results agree to the ones in length
gauge only if the negative-energy states are included in the time propagation. On the other hand, for the considered laser parameters, no significant difference is found in length gauge if the negative-energy states are included or not. Within the adopted dipole approximation the main relativistic effect is the shift of the ionization potential. A simple scaling procedure is proposed to account for this effect.
The ionization probability of N$_2$, O$_2$, and CO$_2$ in intense laser fields is studied theoretically as a function of the alignment angle by solving the time-dependent Schrodinger equation numerically assuming only the single-active-electron appro
ximation. The results are compared to recent experimental data [D.~Pavi{v{c}}i{c} et al., Phys.,Rev.,Lett. {bf 98}, 243001 (2007)] and good agreement is found for N$_2$ and O$_2$. For CO$_2$ a possible explanation is provided for the failure of simplified single-active-electron models to reproduce the experimentally observed narrow ionization distribution. It is based on a field-induced coherent core-trapping effect.
The alignment dependence of the ionization behavior of H$_2$ exposed to intense ultrashort laser pulses is investigated on the basis of solutions of the full time-dependent Schrodinger equation within the fixed-nuclei and dipole approximation. The to
tal ionization yields as well as the energy-resolved electron spectra have been calculated for a parallel and a perpendicular orientation of the molecular axis with respect to the polarization axis of linear polarized laser pulses. For most, but not all considered laser peak intensities the parallel aligned molecules are easier to ionize. Furthermore, it is shown that the velocity formulation of the strong-field approximation predicts a simple interference pattern for the ratio of the energy-resolved electron spectra obtained for the two orientations, but this is not confirmed by the full ab initio results.
The collision of two atoms is an intrinsic multi-channel (MC) problem as becomes especially obvious in the presence of Feshbach resonances. Due to its complexity, however, single-channel (SC) approximations, which reproduce the long-range behavior of
the open channel, are often applied in calculations. In this work the complete MC problem is solved numerically for the magnetic Feshbach resonances (MFRs) in collisions between generic ultracold 6Li and 87Rb atoms in the ground state and in the presence of a static magnetic field B. The obtained MC solutions are used to test various existing as well as presently developed SC approaches. It was found that many aspects even at short internuclear distances are qualitatively well reflected. This can be used to investigate molecular processes in the presence of an external trap or in many-body systems that can be feasibly treated only within the framework of the SC approximation. The applicability of various SC approximations is tested for a transition to the absolute vibrational ground state around an MFR. The conformance of the SC approaches is explained by the two-channel approximation for the MFR.
A theoretical study of the intense-field single ionization of molecular hydrogen or deuterium oriented either parallel or perpendicular to a linear polarized laser pulse (400 nm) is performed for different internuclear separations and pulse lengths i
n an intensity range of $(2-13)times10^{13} $W cm$^{-2}$. The investigation is based on a non-perturbative treatment that solves the full time-dependent Schrodinger equation of both correlated electrons within the fixed-nuclei and the dipole approximation. The results for various internuclear separations are used to obtain the ionization yields of molecular hydrogen and deuterium in their ground vibrational states. An atomic model is used to identify the influence of the intrinsic diatomic two-center character of the problem.
For the description of an H2 molecule an effective one-electron model potential is proposed which is fully determined by the exact ionization potential of the H2 molecule. In order to test the model potential and examine its properties it is employed
to determine excitation energies, transition moments, and oscillator strengths in a range of the internuclear distances, 0.8 < R < 2.5 a.u. In addition, it is used as a description of an H2 target in calculations of the cross sections for photoionization and for partial excitation in collisions with singly-charged ions. The comparison of the results obtained with the model potential with literature data for H2 molecules yields a good agreement and encourages therefore an extended usage of the potential in various other applications or in order to consider the importance of two-electron and anisotropy effects.
