Deterministic constant-temperature dynamics for dissipative quantum systems

Alessandro Sergi
2007 Journal of Physics A: Mathematical and Theoretical  
A novel method is introduced in order to treat the dissipative dynamics of quantum systems interacting with a bath of classical degrees of freedom. The method is based upon an extension of the Nos\'e-Hoover chain (constant temperature) dynamics to quantum-classical systems. Both adiabatic and nonadiabatic numerical calculations on the relaxation dynamics of the spin-boson model show that the quantum-classical Nos\'e-Hoover chain dynamics represents the thermal noise of the bath in an accurate
more » ... d simple way. Numerical comparisons, both with the constant energy calculation and with the quantum-classical Brownian motion treatment of the bath, show that the quantum-classical Nos\'e-Hoover Chain dynamics can be used to introduce dissipation in the evolution of a quantum subsystem even with just one degree of freedom for the bath. The algorithm can be computationally advantageous in modeling, within computer simulation, the dynamics of a quantum subsystem interacting with complex molecular environments.
doi:10.1088/1751-8113/40/17/f05 fatcat:ju6jgbsucfh5jnr5q2fihmkxme