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Showing 1 to 11 of 11 for “"semiclassical dynamics"”.
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DEVELOPMENT OF ALGORITHMS FOR CLASSICAL AND SEMICLASSICAL DYNAMICS
… utilizing data collected from molecular dynamics simulations. Our method is based on a heuristic evolutionary algorithm that we call the Probability-Graph Evolutionary Algorithm (PGEA). We demonstrate its usefulness with applications on both model systems and ab initio potentials. We …
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Topological phenomena in ultracold atomic gases
… the consequences of Berry curvature for the semiclassical dynamics of a wavepacket and the collective modes of an ultracold gas. We also study theoretically the dynamics of skyrmion-antiskyrmion pairs in a Bose Einstein condensate. Firstly, we propose a general method by which experiments can …
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Quantum Dynamics With Classical and Quantum Trajectories
The forward-backward semiclassical dynamics (FBSD) approximation provides a rigorous and practically useful methodology for simulating the dynamics of condensed phase systems that exhibit quantum mechanical effects. It is shown that FBSD autocorrelation functions of momentum and position-dependent …
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Theoretical methods for the study of quantum dynamics
… convergence of the approximate forward-backward semiclassical dynamics (FBSD) method has been accelerated by working with only the imaginary part of the real-time position and momentum time correlation functions. Simple manipulations allow the computationally favorable limit of a single …
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Forward-Backward Methods for Mixed System Dynamics
… and computational efficiency in the study of its dynamics by applying mixed methods---methods that treat the two subsystems differently. In particular, the observable system is treated by a method that fully preserves its quantum character, while the treatment of its environment, the bath, …
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Topics in Spin-Orbit Coupling in Cold Atoms and Semiconductors
… be S ∼ 10−7 m/s^2/√Hz Finally, we consider the semiclassical dynamics of a trapped spin-orbit coupled system. We find non-linear dynamics parameterized by the value of the initial displacement of the trap, and the anisotropy of the spin-orbit energy spectrum. We show that the dynamics can give a …
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Nonsingular and deformed black holes Fundamental aspects and phenomenology
… l. We then turn our attention to the thermodynamics of these models, revealing a preference for the states with l of the order of the horizon scale. This aspect is further investigated through theanalysis of semiclassical dynamics, i.e., the Hawking evaporation process, by using a simple two …
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Semiclassical Approaches to Complex Chemical Simulation in Real Time
Semiclassical (SC) theory offers a pedagogically rich connection between quantum and classical perspectives of nature, and, furthermore, is a promising approach to incorporating quantum effects into molecular dynamics simulations. However, a variety of numerical challenges associated with SC …
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Geometry and Topology of Quantum States in Quasicrystalline Systems
… force can be chosen such that the resulting dynamics is simply captured by an effective band structure, albeit with the Brillouin zone replaced by a space referred to as a `pseudo' Brillouin zone. Within a corresponding semiclassical picture, we find the presence of Bloch oscillations, …
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The (Semi-)Classical Vibrational Echo
… optical spectroscopies probing the nuclear dynamics of condensed phases. The vibrational echo is the vibrational analog of the NMR spin echo and selectively eliminates inhomogeneous broadening from the echo spectrum, providing direct information about the timescale of dynamics within a …
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SEMICLASSICAL VIBRATIONAL SPECTROSCOPY OF BIOMOLECULAR SYSTEMS
In questa tesi, presento un lavoro teorico sulla dinamica semiclassica che ha permesso di riprodurre con precisione gli spettri vibrazionali di molecole di interesse biologico. All’inizio del mio dottorato, ho sviluppato un software per eseguire la dinamica di Adiabatic Switching utilizzando …