Quantum Spin Dynamics by Path Integral Centroid Molecular Dynamics Method
نویسندگان
چکیده
منابع مشابه
Many-body quantum dynamics by adiabatic path-integral molecular dynamics: Disordered Frenkel Kontorova models
The spectral density of quantum mechanical Frenkel Kontorova chains moving in disordered, external potentials is investigated by means of path-integral molecular dynamics. If the second moment of the embedding potential is well defined (roughness exponent ), there is one regime in which the chain is pinned (large masses of chain particles) and one in which it is unpinned (small ). If the embedd...
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We illustrate how path-integral molecular dynamics can be used to calculate ground-state tunnelling splittings in molecules or clusters. The method obtains the splittings from ratios of density matrix elements between the degenerate wells connected by the tunnelling. We propose a simple thermodynamic integration scheme for evaluating these elements. Numerical tests on fully dimensional malonald...
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We recently obtained a quantum-Boltzmann-conserving classical dynamics by making a single change to the derivation of the "Classical Wigner" approximation. Here, we show that the further approximation of this "Matsubara dynamics" gives rise to two popular heuristic methods for treating quantum Boltzmann time-correlation functions: centroid molecular dynamics (CMD) and ring-polymer molecular dyn...
متن کاملRelation of centroid molecular dynamics (CMD) and ring-polymer molecular dynamics (RPMD) to exact quantum dynamics
We recently obtained a quantum-Boltzmann-conserving classical dynamics by making a single change to the derivation of the ‘Classical Wigner’ approximation. Here, we show that the further approximation of this ‘Matsubara dynamics’ gives rise to two popular heuristic methods for treating quantum Boltzmann time-correlation functions: centroid molecular dynamics (CMD) and ring-polymer molecular dyn...
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The commensurate Frenkel Kontorova (FK) model is studied using path-integral molecular dynamics (PIMD). We focus on the highly discrete case, in which the embedding potential has a much greater maximum curvature than the harmonic potential connecting two particles in the FK chain. When efficient sampling methods are used, the dynamical interpretation of adiabatic PIMD appears to represent quite...
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ژورنال
عنوان ژورنال: Progress of Theoretical Physics Supplement
سال: 2000
ISSN: 0375-9687
DOI: 10.1143/ptps.138.533