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Geometrically Constructed Markov Chain Monte Carlo Study of Quantum Spin-phonon Complex Systems (Hardcover, 2014 ed.)
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Geometrically Constructed Markov Chain Monte Carlo Study of Quantum Spin-phonon Complex Systems (Hardcover, 2014 ed.)
Series: Springer Theses
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In this thesis, novel Monte Carlo methods for precisely calculating
the critical phenomena of the effectively frustrated quantum spin
system are developed and applied to the critical phenomena of the
spin-Peierls systems. Three significant methods are introduced for
the first time: a new optimization algorithm of the Markov chain
transition kernel based on the geometric weight-allocation
approach, the extension of the worm (directed-loop) algorithm to
nonconserved particles, and the combination with the level
spectroscopy. Utilizing these methods, the phase diagram of the
one-dimensional XXZ spin-Peierls system is elucidated. Furthermore,
the multi-chain and two-dimensional spin-Peierls systems with
interchain lattice interaction are investigated. The unbiased
simulation shows that the interesting quantum phase transition
between the 1D-like liquid phase and the
macroscopically-degenerated dimer phase occurs on the
fully-frustrated parameter line that separates the
doubly-degenerated dimer phases in the two-dimensional phase
diagram. The spin-phonon interaction in the spin-Peierls system
introduces the spin frustration, which usually hinders the quantum
Monte Carlo analysis, owing to the notorious negative sign problem.
In this thesis, the author has succeeded in precisely calculating
the critical phenomena of the effectively frustrated quantum spin
system by means of the quantum Monte Carlo method without the
negative sign.
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