Sökning: "nonadiabatic processes"

Visar resultat 1 - 5 av 7 avhandlingar innehållade orden nonadiabatic processes.

  1. 1. For a Fistful of Qubits: Computational Quantum Chemistry on Near-Term Quantum Computers

    Författare :Mårten Skogh; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; nonadiabatic processes; quantum error mitigation; variational quantum algorithms; quantum computation; computational chemistry;

    Sammanfattning : Quantum computing has been touted as a great new frontier of computation, pushing the limits of what we consider within reach of computation. While not all problems are expected to be efficiently solved by a quantum computer, quantum chemistry is among those where many have speculated on near-term quantum advantage. LÄS MER

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

    Författare :Mauritz Andersson; Tamar Seideman; Uppsala universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

  4. 3. Four-Body Treatment of the Hydrogen-Antihydrogen System

    Författare :Henrik Stegeby; Piotr Froelich; Alejandro Saenz; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Antimatter; antihydrogen; four-body system; Adiabatic approximation; Born-Oppenheimer; elastic scattering; stabilization method; resonance states; coupled arrangement channels; coupled rearrangement channels; Gaussian Expansion Method; Antimateria; antiväte; fyrkroppars system; adiabatisk approximation; stabilisationsmetoden; resonanstillstånd; spridningstillstånd; kopplade arrangemangskanaler; Quantum Chemistry; Kvantkemi;

    Sammanfattning : This thesis presents a nonadiabatic (4-body) description of the hydrogen-antihydrogen system at a nonrelativistic level. The properties of the system, the rearrangement processes and the possible existence of resonance states are investigated by using a variational method for coupled arrangement channels, the Gaussian Expansion Method, and the stabilization method. LÄS MER

  5. 4. Theoretical Studies on Kinetics of Molecular Excited States

    Författare :Feng Zhang; Yi Luo; Theodore S. Dibble; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : HTML clipboardKinetics on molecular excited states is a challenging subject in the field of theoretical chemistry. This thesis pays attention to theoretical studies on kinetics of photo-induced processes, including photo-chemical reactions, radiative and non-radiative transitions (intersystem crossing and internal conversion) in molecular and bio-related systems. LÄS MER

  7. 5. Electron-lattice dynamics in π-conjugated systems

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

    Sammanfattning : 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. LÄS MER