Browsing Physics by Advisor "Uken, Daniel Alexander."
Now showing items 1-3 of 3
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Computer simulation of nonadiabatic dynamics by means of the quantum-classical Liouville equation.
(2013)Simulation of quantum dynamics for many-body systems is an open area of research. For interacting many-body quantum systems, the computer memory necessary to perform calculations has an astronomical value, so that ... -
Generalisation of theory and algorithms for the configurational temperature Nosé–Hoover thermostat.
(2015)In this dissertation we reformulate the configurational temperature Nos`e-Hoover thermostat proposed by Braga and Travis (C. Braga and K.P. Travis, 2005), using the antisymmetric matrix formalism found in (A. Sergi, ... -
Numerical sampling of nonadiabatic dynamics of quantum-classical systems.
(2010)The simulation of the dynamics of quantum systems is very di cult, due to the fact that, in general, it cannot be calculated exactly for interacting many-body systems. Brute force simulations of quantum dynamics are ...