Spelling suggestions: "subject:"timedependent schrodinger equation"" "subject:"timedependent achrodinger equation""
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Etude théorique de petits systèmes quantiques en champ laser intenses (infrarouges et/ou hautes fréquences) / Theoretical study of small quantum systems in intense laser fields (infrared and / or high frequencies)Chqondi, Soumia 28 October 2016 (has links)
L'interaction entre un rayonnement laser et un système atomique, peut conduire à différents processus physiques comme la photoionisation, l'ionisation multiphotonique, l'ionisation tunnel, génération d'harmoniques d'ordres élevés... L'importance de chacun de ces processus est en fait dépend de l'intensité et de la fréquence du champ laser considéré. Ce travail de thèse a porté sur la description de l'interaction d'un champ laser (Infrarouge et/ou Haute fréquence) avec un atome d'hydrogène (archétype d'un système à un électron actif). Nous avons tout d'abord développé les méthodes numériques pour la résolution de l'équation de Schrödinger dépendante du temps décrivant le système laser-atome d'hydrogène. Ces méthodes nous ont permis d'écrire un code numérique pour la simulation des solutions de cette équation. Nous les avons ensuite utilisées, après la vérification de la convergence de notre programme numérique pour présenter les résultats sur la photoionisation à un seul photon, sur l'ionisation multiphotonique et aussi sur un autre phénomène résultant du processus d'ionisation, il s'agit de l'absorption de photons au dessus du seuil d'ionisation, nommé processus ATI (Above Threshold Ionization). Ensuite, nous appliquerons ce code numérique à la photoionisation de l'atome d'hydrogène combinant deux photons, infrarouge (basse fréquence) et l'une de ses harmoniques (haute fréquence). Finalement, un calcul de la distribution angulaire des électrons émis a été effectué numériquement. / The interaction between laser radiation and atomic system, can lead to various physical processes such as photoionization, multiphoton ionization, tunneling ionization, High Order Harmonic Generation ... The importance of each of these processes is in fact dependent on the intensity and frequency of the laser field. In this thesis, we describe the interaction of a laser field (Infrared and / or high frequencie) with hydrogen (arche-type of a system with one active electron). We first developed numerical methods for solving the time-dependant Schrödinger equation of time describing the hydrogen atom laser system. These methods allowed us to write a numerical code for the simulation of solutions of this equation. We then used, after the verification of the numerical convergence of our program to present the results on the single-photon photoionization on multiphoton ionization. We also concentrate on another phenomenon resulting from the ionization process, it is absorption of photons above the ionization threshold, named process ATI (above threshold ionization). Then, we will apply this numerical code to the photoionization hydrogen combining two photons, infrared (low frequency) and one of its harmonics (high frequency). Finally, a calculation of the angular distribution of the emitted electron was carried out numerically.
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Electron Dynamics in Finite Quantum SystemsMcDonald, Christopher 12 September 2013 (has links)
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) and multiconfiguration time-dependent Hartree (MCTDH) methods are employed to investigate nonperturbative multielectron dynamics in finite quantum systems. MCTDHF is a powerful tool that allows for the investigation of multielectron dynamics in strongly perturbed quantum systems. We have developed an MCTDHF code that is capable of treating problems involving three dimensional (3D) atoms and molecules exposed to strong laser fields. This code will allow for the theoretical treatment of multielectron phenomena in attosecond science that were previously inaccessible. These problems include complex ionization processes in pump-probe experiments on noble gas atoms, the nonlinear effects that have been observed in Ne atoms in the presence of an x-ray free-electron laser (XFEL) and the molecular rearrangement of cations after ionization. An implementation of MCTDH that is optimized for two electrons, each moving in two dimensions (2D), is also presented. This implementation of MCTDH allows for the efficient treatment of 2D spin-free systems involving two electrons; however, it does not scale well to 3D or to systems containing more that two electrons.
Both MCTDHF and MCTDH were used to treat 2D problems in nanophysics and attosecond science. MCTDHF is used to investigate plasmon dynamics and the quantum breathing mode for several electrons in finite lateral quantum dots. MCTDHF is also used to study the effects of manipulating the potential of a double lateral quantum dot containing two electrons; applications to quantum computing are discussed. MCTDH is used to examine a diatomic model molecular system exposed to a strong laser field; nonsequential double ionization and high harmonic generation are studied and new processes identified and explained. An implementation of MCTDHF is developed for nonuniform tensor product grids; this will allow for the full 3D implementation of MCTDHF and will provide a means to investigate a wide variety of problems that cannot be currently treated by any other method. Finally, the time it takes for an electron to tunnel from a bound state is investigated; a definition of the tunnel time is established and the Keldysh time is connected to the wavefunction dynamics.
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Electron Dynamics in Finite Quantum SystemsMcDonald, Christopher January 2013 (has links)
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) and multiconfiguration time-dependent Hartree (MCTDH) methods are employed to investigate nonperturbative multielectron dynamics in finite quantum systems. MCTDHF is a powerful tool that allows for the investigation of multielectron dynamics in strongly perturbed quantum systems. We have developed an MCTDHF code that is capable of treating problems involving three dimensional (3D) atoms and molecules exposed to strong laser fields. This code will allow for the theoretical treatment of multielectron phenomena in attosecond science that were previously inaccessible. These problems include complex ionization processes in pump-probe experiments on noble gas atoms, the nonlinear effects that have been observed in Ne atoms in the presence of an x-ray free-electron laser (XFEL) and the molecular rearrangement of cations after ionization. An implementation of MCTDH that is optimized for two electrons, each moving in two dimensions (2D), is also presented. This implementation of MCTDH allows for the efficient treatment of 2D spin-free systems involving two electrons; however, it does not scale well to 3D or to systems containing more that two electrons.
Both MCTDHF and MCTDH were used to treat 2D problems in nanophysics and attosecond science. MCTDHF is used to investigate plasmon dynamics and the quantum breathing mode for several electrons in finite lateral quantum dots. MCTDHF is also used to study the effects of manipulating the potential of a double lateral quantum dot containing two electrons; applications to quantum computing are discussed. MCTDH is used to examine a diatomic model molecular system exposed to a strong laser field; nonsequential double ionization and high harmonic generation are studied and new processes identified and explained. An implementation of MCTDHF is developed for nonuniform tensor product grids; this will allow for the full 3D implementation of MCTDHF and will provide a means to investigate a wide variety of problems that cannot be currently treated by any other method. Finally, the time it takes for an electron to tunnel from a bound state is investigated; a definition of the tunnel time is established and the Keldysh time is connected to the wavefunction dynamics.
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