Search for dissertations about: "nonadiabatic effects"

Found 4 swedish dissertations containing the words nonadiabatic effects.

  2. 1. Quantum Dynamics of Molecular Systems and Guided Matter Waves

    Author : Mauritz Andersson; Tamar Seideman; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; quantum dynamics; femtosecond spectroscopy; photoelectron spectroscopy; resonances; nonadiabatic interaction; coherent state representation; adaptive numerical method; Kvantkemi; Quantum chemistry; Kvantkemi; Quantum Chemistry; kvantkemi;

    Abstract : Quantum dynamics is the study of time-dependent phenomena in fundamental processes of atomic and molecular systems. This thesis focuses on systems where nature reveals its quantum aspect; e.g. in vibrational resonance structures, in wave packet revivals and in matter wave interferometry. READ MORE

  4. 2. Dynamics of Magnetic Molecules under Electrical Control

    Author : Henning Hammar; Jonas Fransson; Annica M. Black-Schaffer; Alexander Shnirman; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular magnets; Spin dynamics; Non-adiabatic effects; Exchange interaction; Thermoelectricity; Fysik; Physics;

    Abstract : This thesis theoretically studies the dynamics of molecular magnets under electrical control. Molecular magnets are nanoscale magnets that can, e.g., consist of single-molecules or single-atoms. READ MORE

  5. 3. Theoretical Developments for the Real-Time Description and Control of Nanoscale Systems

    Author : Miroslav Hopjan; Matematisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Green’s Function; DFT; TDDFT; Hubbard Model; Many-Body Perturbation Theory; Strongly Correlated Systems; Quantum Transport; Disorder; Ehrenfest Dynamics; Electronic Friction; Exact Diagonalization; Periodic Anderson Model; Fysicumarkivet A:2018:Hopjan;

    Abstract : In this thesis we focus on improvements of the description of the electron-electron correlation effects in nonequilibrium nanosystems. We mainly focus on developments of two nonequilibrium methods, namely the formalism of Nonequilibrium Green’s Function and Time Dependent Density Functional Theory and we explore the possibility to improve existing approximations in these theories. READ MORE

  6. 4. Electron-lattice dynamics in π-conjugated systems

    Author : Magnus Hultell (Andersson); Sven Stafström; Alessandro Troisi; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; charge transport; electron-lattice dynamics; polaron; adiabatic transport; electron localization; internal conversion; Computational physics; Beräkningsfysik;

    Abstract : The work presented in this thesis concerns the dynamics in π-conjugated hydrocarbon systems. Due to the molecular bonding structure of these systems there exists a coupling between the electronic system and the phonons of the lattice. READ MORE