Influence of asymmetry and nodal planes on high-harmonic generation in heteronuclear molecules

The relation between high-harmonic spectra and the geometry of the molecular orbitals in position and momentum space is investigated. In particular we choose two isoelectronic pairs of homonuclear and heteronuclear molecules, such that the highest occupied molecular orbital of the former exhibit at least one nodal plane. The imprint of such planes is a strong suppression in the harmonic spectra, for particular alignment angles. We are able to identify two distinct types of nodal planes. If the nodal planes are determined by the atomic wavefunctions only, the angle for which the yield is suppressed will remain the same for both types of molecules. In contrast, if they are determined by the linear combination of atomic orbitals at different centers in the molecule, there will be a shift in the angle at which the suppression occurs for the heteronuclear molecules, with regard to their homonuclear counterpart. This shows that, in principle, molecular imaging, which uses the homonuclear molecule as a reference and enables one to observe the wavefunction distortions in its heteronuclear counterpart, is possible.Comment: 14 pages, 7 figures. Figs. 3, 5 and 6 have been simplified in order to comply with the arXiv size requirement

High-harmonic generation from a confined atom

The order of high harmonics emitted by an atom in an intense laser field is limited by the so-called cutoff frequency. Solving the time-dependent Schr\"odinger equation, we show that this frequency can be increased considerably by a parabolic confining potential, if the confinement parameters are suitably chosen. Furthermore, due to confinement, the radiation intensity remains high throughout the extended emission range. All features observed can be explained with classical arguments.Comment: 4 pages(tex files), 4 figures(eps files); added references and comment

Non-Hermitian Hamiltonians with real eigenvalues coupled to electric fields: from the time-independent to the time dependent quantum mechanical formulation

We provide a reviewlike introduction into the quantum mechanical formalism related to non-Hermitian Hamiltonian systems with real eigenvalues. Starting with the time-independent framework we explain how to determine an appropriate domain of a non-Hermitian Hamiltonian and pay particular attention to the role played by PT-symmetry and pseudo-Hermiticity. We discuss the time-evolution of such systems having in particular the question in mind of how to couple consistently an electric field to pseudo-Hermitian Hamiltonians. We illustrate the general formalism with three explicit examples: i) the generalized Swanson Hamiltonians, which constitute non-Hermitian extensions of anharmonic oscillators, ii) the spiked harmonic oscillator, which exhibits explicit supersymmetry and iii) the -x^4-potential, which serves as a toy model for the quantum field theoretical phi^4-theory.Comment: 14 pages, 3 figures, to appear in Laser Physics, minor typos correcte

The periodic Anderson model from the atomic limit and FeSi

The exact Green's functions of the periodic Anderson model for $U\to \infty$ are formally expressed within the cumulant expansion in terms of an effective cumulant. Here we resort to a calculation in which this quantity is approximated by the value it takes for the exactly soluble atomic limit of the same model. In the Kondo region a spectral density is obtained that shows near the Fermi surface a structure with the properties of the Kondo peak. Approximate expressions are obtained for the static conductivity $$ and magnetic susceptibility $\chi (T)$ of the PAM, and they are employed to fit the experimental values of FeSi, a compound that behaves like a Kondo insulator with both quantities vanishing rapidly for $T\to 0$. Assuming that the system is in the intermediate valence region, it was possible to find good agreement between theory and experiment for these two properties by employing the same set of parameters. It is shown that in the present model the hybridization is responsible for the relaxation mechanism of the conduction electrons.Comment: 26 pages and 8 figure

Time evolution of non-Hermitian Hamiltonian systems

We provide time-evolution operators, gauge transformations and a perturbative treatment for non-Hermitian Hamiltonian systems, which are explicitly time-dependent. We determine various new equivalence pairs for Hermitian and non-Hermitian Hamiltonians, which are therefore pseudo-Hermitian and in addition in some cases also invariant under PT-symmetry. In particular, for the harmonic oscillator perturbed by a cubic non-Hermitian term, we evaluate explicitly various transition amplitudes, for the situation when these systems are exposed to a monochromatic linearly polarized electric field.Comment: 25 pages Latex, 1 eps figure, references adde

Classical and quantum-mechanical treatments of nonsequential double ionization with few-cycle laser pulses

We address nonsequential double ionization induced by strong, linearly polarized laser fields of only a few cycles, considering a physical mechanism in which the second electron is dislodged by the inelastic collision of the first electron with its parent ion. The problem is treated classically, using an ensemble model, and quantum-mechanically, within the strong-field and uniform saddle-point approximations. In the latter case, the results are interpreted in terms of "quantum orbits", which can be related to the trajectories of a classical electron in an electric field. We obtain highly asymmetric electron momentum distributions, which strongly depend on the absolute phase, i.e., on the phase difference between the pulse envelope and its carrier frequency. Around a particular value of this parameter, the distributions shift from the region of positive to that of negative momenta, or vice-versa, in a radical fashion. This behavior is investigated in detail for several driving-field parameters, and provides a very efficient method for measuring the absolute phase. Both models yield very similar distributions, which share the same physical explanation. There exist, however, minor discrepancies due to the fact that, beyond the region for which electron-impact ionization is classically allowed, the yields from the quantum mechanical computation decay exponentially, whereas their classical counterparts vanish.Comment: 12 pages revtex, 12 figures (eps files

Delta-Function Potential with a Complex Coupling

We explore the Hamiltonian operator H=-d^2/dx^2 + z \delta(x) where x is real, \delta(x) is the Dirac delta function, and z is an arbitrary complex coupling constant. For a purely imaginary z, H has a (real) spectral singularity at E=-z^2/4. For \Re(z)<0, H has an eigenvalue at E=-z^2/4. For the case that \Re(z)>0, H has a real, positive, continuous spectrum that is free from spectral singularities. For this latter case, we construct an associated biorthonormal system and use it to perform a perturbative calculation of a positive-definite inner product that renders H self-adjoint. This allows us to address the intriguing question of the nonlocal aspects of the equivalent Hermitian Hamiltonian for the system. In particular, we compute the energy expectation values for various Gaussian wave packets to show that the non-Hermiticity effect diminishes rapidly outside an effective interaction region.Comment: Published version, 14 pages, 2 figure

Quantum impurity with 2/3 local moment in 1D quantum wires: an NRG study

We study a Kondo state that is strongly influenced by its proximity to an w^-1/2 singularity in the metallic host density of states. This singularity occurs at the bottom of the band of a 1D chain, for example. We first analyze the non-interacting system: A resonant state e_d, located close to the band singularity, suffers a strong `renormalization', such that a bound state is created below the bottom of the band in addition to a resonance in the continuum. When e_d is positioned right at the singularity, the spectral weight of the bound state is 2/3, irrespective of its coupling to the conduction electrons. The interacting system is modeled using the Single Impurity Anderson Model, which is then solved using the Numerical Renormalization Group method. We observe that the Hubbard interaction causes the bound state to suffer a series of transformations, including level splitting, transfer of spectral weight, appearance of a spectral discontinuity, changes in binding energy (the lowest state moves farther away from the bottom of the band), and development of a finite width. When e_d is away from the singularity and in the intermediate valence regime, the impurity occupancy is lower. As e_d moves closer to the singularity, the system partially recovers Kondo regime properties, i.e., higher occupancy and lower Kondo temperature T_K. The impurity thermodynamic properties show that the local moment fixed point is also strongly affected by the existence of the bound state. When e_d is close to the singularity, the local moment fixed point becomes impervious to charge fluctuations (caused by bringing e_d close to the Fermi energy), in contrast to the local moment suppression that occurs when e_d is away from the singularity. We also discuss an experimental implementation that shows similar results to the quantum wire, if the impurity's metallic host is an armchair graphene nanoribbon.Comment: 13 pages, 20 figure