Quantum dynamics in classical constant-temperature baths.
| dc.contributor.advisor | Sergi, Alessandro. | |
| dc.contributor.author | Dlamini, Nkosinathi Bongumusa. | |
| dc.date.accessioned | 2013-05-23T08:09:40Z | |
| dc.date.available | 2013-05-23T08:09:40Z | |
| dc.date.created | 2012 | |
| dc.date.issued | 2012 | |
| dc.description | Thesis (M.Sc.)-University of KwaZulu-Natal, Pietermaritzburg, 2012. | en |
| dc.description.abstract | In this dissertation the formulation of various integration algorithms is studied, with a view to simulate quantum-classical systems in contact with a thermal bath. In particular focus is given to the constant temperature dynamics of the Nos e-Hoover, Nos e-Hoover Chain and Nos e-Hoover Power thermostat schemes. Through the use of the time symmetric Trotter factorisation of the Liouville operator, algorithms are derived that are both time-reversible and measure-preserving. The efficiency of these algorithms is tested via the constant temperature simulation of a low-dimensional harmonic system. In addition The Nos e-Hoover Power thermostat was then extended to the quantum-classical case. The damping of a tunnelling spin coupled to a thermalised harmonic mode was simulated and the results are presented. | en |
| dc.identifier.uri | http://hdl.handle.net/10413/8960 | |
| dc.language.iso | en_ZA | en |
| dc.subject | Quantum theory. | en |
| dc.subject | Theses--Physics. | en |
| dc.title | Quantum dynamics in classical constant-temperature baths. | en |
| dc.type | Thesis | en |