Sökning: "Classical Wigner method"
Visar resultat 1 - 5 av 6 avhandlingar innehållade orden Classical Wigner method.
1. Classical Wigner Method with an Effective Quantum Force
Sammanfattning : 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. LÄS MER
2. Quantum dynamical effects in complex chemical systems
Sammanfattning : 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 This thesis presents research that so far has resulted in three published papers and one unpublished manuscript. LÄS MER
3. Quantum Force in Wigner Space
Sammanfattning : 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. LÄS MER
4. Radiative association of C(3 P) and N(4 S) atoms: From semi-classical theory to coupled-states quantum dynamics
Sammanfattning : 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. LÄS MER
5. Electron Transport and Chaos in Model Mesoscopic Systems
Sammanfattning : 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. LÄS MER