Search for dissertations about: "Classical Wigner method"

Showing result 1 - 5 of 6 swedish dissertations containing the words Classical Wigner method.

  2. 1. Classical Wigner Method with an Effective Quantum Force

    Author : Huaqing Li; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : In this work, I will present an effective way to study the dynamics in phase space and obtain the rate constants. Our method is based on the Classical Wigner (CW) model, which is an approximate method for including quantum mechanical effects into molecular simulations. READ MORE

  4. 2. Quantum dynamical effects in complex chemical systems

    Author : S. Karl-Mikael Svensson; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Quantum dynamics; Radiative association; Classical Wigner method; Feynman path integral; Reaction rate constants; Wigner phase space;

    Abstract : When using mathematical models to computationally investigate a chemical system it is important that the methods used are accurate enough to account for the relevant properties of the system and at the same time simple enough to be computationally affordable. This thesis presents research that so far has resulted in three published papers and one unpublished manuscript. READ MORE

  5. 3. Quantum Force in Wigner Space

    Author : Huaqing Li; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : In this thesis, I will present effective methods to study quantum dynamics using trajec- tories. Our methods are based on a method named the Classical Wigner model which starts with a quantum initial condition and generates trajectories which are propagated in time using a classical force. READ MORE

  6. 4. Radiative association of C(3 P) and N(4 S) atoms: From semi-classical theory to coupled-states quantum dynamics

    Author : Sergey V. Antipov; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : In the present work formation of the CN radical through radiative association is simulated using both semi-classical and quantum mechanical theories. The rate coefficient for temperatures from 40 K to 1900 K has been computed using the Breit-Wigner theory to account for the resonances. READ MORE

  7. 5. Electron Transport and Chaos in Model Mesoscopic Systems

    Author : Thomas Ouchterlony; Hongqi Xu; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : In this thesis mesoscopic structures intermediate in size between classical macroscopic objects and quantum mechanical objects as atoms are treated. The size of mesoscopic systems are of the same order as the wavelength of the electrons, which makes it necessary to take quantum mechanics into account. READ MORE