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Quantum Phase Transition in the Spin-Boson Model: A Multilayer Multiconfiguration Time-Dependent Hartree Study.

Haobin WangJiushu Shao
Published in: The journal of physical chemistry. A (2019)
The multilayer improved relaxation is applied to study the delocalization-localization transition in the spin-boson model at zero temperature-a well-known example of quantum phase transition. Calculations of energy eigenstates are obtained by iteratively diagonalizing the matrix of the Boltzmann operator in the top layer representation, using a Lanczos/Arnoldi method while relaxing the single particle functions of all layers using the multilayer multiconfiguration time-dependent Hartree imaginary time propagation. Two properties are used to examine the quantum phase transition: the energy splitting for the lowest pair of eigenstates and the magnetic susceptibility. Consistent findings are obtained with appropriate scaling parameters.
Keyphrases
  • density functional theory
  • molecular dynamics
  • single molecule
  • molecular dynamics simulations
  • quantum dots
  • neural network