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Showing 1 to 6 of 6 (0.021 seconds)Spelling suggestions: "subject:"laserfeld"" "subject:"gaserfeld""
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Mechanismen der Ionisation atomarer Systeme in intensiven LaserpulsenSiedschlag, Christian 24 June 2002 (has links) (PDF)
Die Dissertation besteht aus zwei Teilen: im ersten Teil wird das Verhalten von kleinen Edelgasclustern in intensiven Laserfeldern theoretisch untersucht. Im zweiten Teil wenden wir die Bohmsche Mechanik auf die Untersuchung von Helium und des Wasserstoffmolkülions (H_2^+) in intensiven Pulsen an. Im ersten Teil wird zunaechst ein numerisches Modell entwickelt, welches es erlaubt, unter Mitnahme aller Elektronen die die Dynamik kleiner Edelgascluster in starken Feldern zu simulieren. Anschliessend wird detailliert untersucht, wie die Expansion eines Clusters Einfluss auf dessen Absorptionseigenschaften nimmt. Wir verallgemeinern dabei den aus der Molekuelphysik bekannten "enhanced-ionization" Mechanismus auf den Bereich der Clusterphysik. Im zweiten Teil wird die in der Bohmschen Mechanik gegebene Moeglichkeit einer mikroskopischen Untersuchung der Wellenfunktionsdynamik verwendet, um atomphysikalische Prozesse unter einem neuen Aspekt zu betrachten. Der Ionisationsprozess des Wasserstoffmolekuelions im starken Lichtfeld wird eingehend untersucht, insbesondere die Frage, bei welchen Kernabstaenden die Ionisation stattfindet. Fuer das Heliumatom liefert die Analyse der zur Einfach- bzw. Doppelionisation fuehrenden Anfangszustaende der Bohmschen Testteilchen neue Einblicke in das nichtsequentielle Ionisationsverhalten.
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Mechanismen der Ionisation atomarer Systeme in intensiven LaserpulsenSiedschlag, Christian 11 July 2002 (has links)
Die Dissertation besteht aus zwei Teilen: im ersten Teil wird das Verhalten von kleinen Edelgasclustern in intensiven Laserfeldern theoretisch untersucht. Im zweiten Teil wenden wir die Bohmsche Mechanik auf die Untersuchung von Helium und des Wasserstoffmolkülions (H_2^+) in intensiven Pulsen an. Im ersten Teil wird zunaechst ein numerisches Modell entwickelt, welches es erlaubt, unter Mitnahme aller Elektronen die die Dynamik kleiner Edelgascluster in starken Feldern zu simulieren. Anschliessend wird detailliert untersucht, wie die Expansion eines Clusters Einfluss auf dessen Absorptionseigenschaften nimmt. Wir verallgemeinern dabei den aus der Molekuelphysik bekannten "enhanced-ionization" Mechanismus auf den Bereich der Clusterphysik. Im zweiten Teil wird die in der Bohmschen Mechanik gegebene Moeglichkeit einer mikroskopischen Untersuchung der Wellenfunktionsdynamik verwendet, um atomphysikalische Prozesse unter einem neuen Aspekt zu betrachten. Der Ionisationsprozess des Wasserstoffmolekuelions im starken Lichtfeld wird eingehend untersucht, insbesondere die Frage, bei welchen Kernabstaenden die Ionisation stattfindet. Fuer das Heliumatom liefert die Analyse der zur Einfach- bzw. Doppelionisation fuehrenden Anfangszustaende der Bohmschen Testteilchen neue Einblicke in das nichtsequentielle Ionisationsverhalten.
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Dynamics of diatomic molecules in intense laser fields / Alignment, Ionization and Fragmentation of dimers / Die Dynamik zweiatomiger Moleküle in intensiven LaserfeldernUhlmann, Mathias 16 May 2006 (has links) (PDF)
A realistic description of ionization in intense laser fields is implemented into the Non-Adiabatic Quantum Molecular Dynamics (NA-QMD) formalism. First, the error of a finite basis expansion is considered and a new measure is proposed for time-dependent calculations. This is used to investigate systematically the influence of the used basis set in calculations on the hydrogen atom in intense laser fields. Second, absorbing boundary conditions in basis expansion are introduced via an imaginary potential into the effective one-particle Hamiltonian. It is shown that the used form of the absorber potential is valid in many-electron time-dependent density functional theory calculations, i.e. that only ionized states are affected by the absorbing potential. The absorber is then tested on reference calculations that exist for H and aligned H+2 in intense laser fields. Excellent agreement is found. Additionally, an approximative treatment of the missing electron-nuclear correlations is proposed. It is found in calculations on H+2 that a qualitative improvement of the description of nuclear dynamics results. The extension of the NA-QMD formalism is then used to investigate the alignment behavior of diatomic molecules. Recent experiments on H+2 and H2 are reviewed and explained. It is found that dynamic alignment, i.e. the laser induced rotation of the molecule, plays a central role. The alignment behavior of H+2 and H2 and its intensity dependence is investigated after that. A drastic difference between H+2 and H2 is found in NA-QMD as well as model calculations. Then, the focus is on an astonishing new effect that has been found in N2 calculations. This effect which is called "rotational destabilization" is studied on the model system H+2. Yet, it might be observable only in heavy dimers and might have already been found in an experiment on I2.
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Dynamics of diatomic molecules in intense laser fields: Alignment, Ionization and Fragmentation of dimers: Die Dynamik zweiatomiger Moleküle in intensiven LaserfeldernUhlmann, Mathias 16 June 2006 (has links)
A realistic description of ionization in intense laser fields is implemented into the Non-Adiabatic Quantum Molecular Dynamics (NA-QMD) formalism. First, the error of a finite basis expansion is considered and a new measure is proposed for time-dependent calculations. This is used to investigate systematically the influence of the used basis set in calculations on the hydrogen atom in intense laser fields. Second, absorbing boundary conditions in basis expansion are introduced via an imaginary potential into the effective one-particle Hamiltonian. It is shown that the used form of the absorber potential is valid in many-electron time-dependent density functional theory calculations, i.e. that only ionized states are affected by the absorbing potential. The absorber is then tested on reference calculations that exist for H and aligned H+2 in intense laser fields. Excellent agreement is found. Additionally, an approximative treatment of the missing electron-nuclear correlations is proposed. It is found in calculations on H+2 that a qualitative improvement of the description of nuclear dynamics results. The extension of the NA-QMD formalism is then used to investigate the alignment behavior of diatomic molecules. Recent experiments on H+2 and H2 are reviewed and explained. It is found that dynamic alignment, i.e. the laser induced rotation of the molecule, plays a central role. The alignment behavior of H+2 and H2 and its intensity dependence is investigated after that. A drastic difference between H+2 and H2 is found in NA-QMD as well as model calculations. Then, the focus is on an astonishing new effect that has been found in N2 calculations. This effect which is called "rotational destabilization" is studied on the model system H+2. Yet, it might be observable only in heavy dimers and might have already been found in an experiment on I2.
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Ab-initio molecular dynamics studies of laser- and collision-induced processes in multielectron diatomics, organic molecules and fullerenes / Ab-initio Molekulardynamik-Studien von laser- und stoßinduzierten Prozessen in Vielelektronen-Dimeren, organischen Molekülen und FullerenenHandt, Jan 22 December 2010 (has links) (PDF)
This work presents applications of an ab-initio molecular dynamics method, the so-called nonadiabatic quantum molecular dynamics (NA-QMD), for various molecular systems with many electronic and nuclear degrees of freedom. Thereby, the nuclei will be treated classically and the electrons with time-dependent density functional theory (TD-DFT) in basis expansion. Depending on the actual system and physical process,
well suited basis sets for the Kohn-Sham orbitals has to be chosen. For the ionization process a novel absorber acting in the energy space as well as additional basis functions will be used depending on the laser frequency.
In the first part of the applications, a large variety of different laser-induced molecular processes will be investigated. This concerns, the orientation dependence of the ionization of multielectronic diatomics (N2, O2), the isomerization of organic molecules (N2H2) and the giant excitation of the breathing mode in fullerenes (C60).
In the second part, fullerene-fullerene collisions are investigated, for the first time in the whole range of relevant impact velocities concerning the vibrational and electronic energy transfer (\"stopping~power\").
For low energetic (adiabatic) collisions, it is surprisingly found, that a two-dimensional, phenomenological collision model can reproduce (even quantitatively) the basic features of fusion and scattering observed in the fully microscopic calculations as well as in the experiment.
For high energetic (nonadiabatic) collisions, the electronic and vibrational excitation regimes are predicted, leading to multifragmentation up to complete atomization.
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Ab-initio molecular dynamics studies of laser- and collision-induced processes in multielectron diatomics, organic molecules and fullerenesHandt, Jan 18 October 2010 (has links)
This work presents applications of an ab-initio molecular dynamics method, the so-called nonadiabatic quantum molecular dynamics (NA-QMD), for various molecular systems with many electronic and nuclear degrees of freedom. Thereby, the nuclei will be treated classically and the electrons with time-dependent density functional theory (TD-DFT) in basis expansion. Depending on the actual system and physical process,
well suited basis sets for the Kohn-Sham orbitals has to be chosen. For the ionization process a novel absorber acting in the energy space as well as additional basis functions will be used depending on the laser frequency.
In the first part of the applications, a large variety of different laser-induced molecular processes will be investigated. This concerns, the orientation dependence of the ionization of multielectronic diatomics (N2, O2), the isomerization of organic molecules (N2H2) and the giant excitation of the breathing mode in fullerenes (C60).
In the second part, fullerene-fullerene collisions are investigated, for the first time in the whole range of relevant impact velocities concerning the vibrational and electronic energy transfer (\"stopping~power\").
For low energetic (adiabatic) collisions, it is surprisingly found, that a two-dimensional, phenomenological collision model can reproduce (even quantitatively) the basic features of fusion and scattering observed in the fully microscopic calculations as well as in the experiment.
For high energetic (nonadiabatic) collisions, the electronic and vibrational excitation regimes are predicted, leading to multifragmentation up to complete atomization.
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