A Galerkin method is developed to solve the time-dependent Dirac equation in prolate spheroidal coordinates for an electron-molecular two-center system. The initial state is evaluated from a variational principle using a kinetic/atomic balanced basis
, which allows for an efficient and accurate determination of the Dirac spectrum and eigenfunctions. B-spline basis functions are used to obtain high accuracy. This numerical method is used to compute the energy spectrum of the two-center problem and then the evolution of eigenstate wavefunctions in an external electromagnetic field.
Numerical methods for the 1-D Dirac equation based on operator splitting and on the quantum lattice Boltzmann (QLB) schemes are reviewed. It is shown that these discretizations fall within the class of quantum walks, i.e. discrete maps for complex fi
elds, whose continuum limit delivers Dirac-like relativistic quantum wave equations. The correspondence between the quantum walk dynamics and these numerical schemes is given explicitly, allowing a connection between quantum computations, numerical analysis and lattice Boltzmann methods. The QLB method is then extended to the Dirac equation in curved spaces and it is demonstrated that the quantum walk structure is preserved. Finally, it is argued that the existence of this link between the discretized Dirac equation and quantum walks may be employed to simulate relativistic quantum dynamics on quantum computers.
A scheme for the detection of photons generated by vacuum mixing processes is proposed. The strategy consists in the utilization of a high numerical aperture parabolic mirror which tightly focuses two co-propagating laser beams with different frequen
cies. This produces a very high intensity region in the vicinity of the focus, where the photon-photon nonlinear interaction can then induce new electromagnetic radiation by wave mixing processes. These processes are investigated theoretically. The field at the focus is obtained from the Stratton-Chu vector diffraction theory, which can accomodate any configuration of an incoming laser beam. The number of photons generated is evaluated for an incident radially polarized beam. It is demonstrated that using this field configuration, vacuum mixing processes could be detected with envisaged laser technologies.
We point out a formal analogy between the Dirac equation in Majorana form and the discrete-velocity version of the Boltzmann kinetic equation. By a systematic analysis based on the theory of operator splitting, this analogy is shown to turn into a co
ncrete and efficient computational method, providing a unified treatment of relativistic and non-relativistic quantum mechanics. This might have potentially far-reaching implications for both classical and quantum computing, because it shows that, by splitting time along the three spatial directions, quantum information (Dirac-Majorana wavefunction) propagates in space-time as a classical statistical process (Boltzmann distribution).
Gauge invariance was discovered in the development of classical electromagnetism and was required when the latter was formulated in terms of the scalar and vector potentials. It is now considered to be a fundamental principle of nature, stating that
different forms of these potentials yield the same physical description: they describe the same electromagnetic field as long as they are related to each other by gauge transformations. Gauge invariance can also be included into the quantum description of matter interacting with an electromagnetic field by assuming that the wave function transforms under a given local unitary transformation. The result of this procedure is a quantum theory describing the coupling of electrons, nuclei and photons. Therefore, it is a very important concept: it is used in almost every fields of physics and it has been generalized to describe electroweak and strong interactions in the standard model of particles. A review of quantum mechanical gauge invariance and general unitary transformations is presented for atoms and molecules in interaction with intense short laser pulses, spanning the perturbative to highly nonlinear nonperturbative interaction regimes. Various unitary transformations for single spinless particle Time Dependent Schrodinger Equations, TDSE, are shown to correspond to different time-dependent Hamiltonians and wave functions. Accuracy of approximation methods involved in solutions of TDSEs such as perturbation theory and popular numerical methods depend on gauge or representation choices which can be more convenient due to faster convergence criteria. We focus on three main representations: length and velocity gauges, in addition to the acceleration form which is not a gauge, to describe perturbative and nonperturbative radiative interactions. Numerical schemes for solving TDSEs in different representations are also discussed.
A simple 1-D relativistic model for a diatomic molecule with a double point interaction potential is solved exactly in a constant electric field. The Weyl-Titchmarsh-Kodaira method is used to evaluate the spectral density function, allowing the corre
ct normalization of continuum states. The boundary conditions at the potential wells are evaluated using Colombeaus generalized function theory along with charge conjugation invariance and general properties of self-adjoint extensions for point-like interactions. The resulting spectral density function exhibits resonances for quasibound states which move in the complex energy plane as the model parameters are varied. It is observed that for a monotonically increasing interatomic distance, the ground state resonance can either go deeper into the negative continuum or can give rise to a sequence of avoided crossings, depending on the strength of the potential wells. For sufficiently low electric field strength or small interatomic distance, the behavior of resonances is qualitatively similar to non-relativistic results.
Two numerical methods are used to evaluate the relativistic spectrum of the two-centre Coulomb problem (for the $H_{2}^{+}$ and $Th_{2}^{179+}$ diatomic molecules) in the fixed nuclei approximation by solving the single particle time-independent Dira
c equation. The first one is based on a min-max principle and uses a two-spinor formulation as a starting point. The second one is the Rayleigh-Ritz variational method combined with kinematically balanced basis functions. Both methods use a B-spline basis function expansion. We show that accurate results can be obtained with both methods and that no spurious states appear in the discretization process.
The validation and parallel implementation of a numerical method for the solution of the time-dependent Dirac equation is presented. This numerical method is based on a split operator scheme where the space-time dependence is computed in coordinate s
pace using the method of characteristics. Thus, most of the steps in the splitting are calculated exactly, making for a very efficient and unconditionally stable method. We show that it is free from spurious solutions related to the fermion-doubling problem and that it can be parallelized very efficiently. We consider a few simple physical systems such as the time evolution of Gaussian wave packets and the Klein paradox. The numerical results obtained are compared to analytical formulas for the validation of the method.
We compute the inclusive differential cross section production of the pseudo-scalar meson eta in high-energy proton-proton (pp) and proton-nucleus (pA) collisions. We use an effective coupling between gluons and eta meson to derive a reduction formul
a that relates the eta production to a field-strength tensor correlator. For pA collisions we take into account saturation effects on the nucleus side by using the Color Glass Condensate formalism to evaluate this correlator. We derive new results for Wilson line - color charges correlators in the McLerran-Venugopalan model needed in the computation of eta production. The unintegrated parton distribution functions are used to characterize the gluon distribution inside protons. We show that in pp collisions, the cross section depends on the parametrization of unintegrated parton distribution functions and thus, it can be used to put constraints on these distributions. We also demonstrate that in pA collisions, the cross section is sensitive to saturation effects so it can be utilized to estimate the value of the saturation scale.
We compute the inclusive cross-section of $f_{2}$ tensor mesons production in proton-proton collisions at high-energy. We use an effective theory inspired from the tensor meson dominance hypothesis that couples gluons to $f_{2}$ mesons. We compute th
e differential cross-section in the $k_{perp}$-factorization and in the Color Glass Condensate formalism in the low density regime. We show that the two formalisms are equivalent for this specific observable. Finally, we study the phenomenology of $f_{2}$ mesons by comparing theoretical predictions of different parameterizations of the unintegrated gluon distribution function. We find that $f_{2}$-meson production is another observable that can be used to put constraints on these distributions.
