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dc.contributor.advisorSergi, Alessandro.
dc.creatorDlamini, Nkosinathi B.
dc.date.accessioned2013-05-23T08:09:40Z
dc.date.available2013-05-23T08:09:40Z
dc.date.created2012
dc.date.issued2013-05-23
dc.identifier.urihttp://hdl.handle.net/10413/8960
dc.descriptionThesis (M.Sc.)-University of KwaZulu-Natal, Pietermaritzburg, 2012.en
dc.description.abstractIn 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.language.isoen_ZAen
dc.subjectQuantum theory.en
dc.subjectTheses--Physics.en
dc.titleQuantum dynamics in classical constant-temperature baths.en
dc.typeThesisen


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