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Nuclear Physics A

Mean field theory and boson expansion at finite temperature on the basis of the thermo field dynamics

Tetsuo Hatsuda

Published Feb 1, 1989• 44 citations
Publisher
DOI
10.1016/0375-9474(89)90081-x

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Quantum electron-vibrational dynamics in molecular systems at finite temperature is described using an approach based on the thermo field dynamics theory. This formulation treats temperature effects in the Hilbert space without introducing the Liouville space. A comparison with the theoretically equivalent density matrix formulation shows the key numerical advantages of the present approach. The solution of thermo field dynamics equations with a novel technique for the propagation of tensor trains (matrix product states) is discussed. Numerical applications to model spin-boson systems show that the present approach is a promising tool for the description of quantum dynamics of complex molecular systems at finite temperature.