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Showing 1 to 20 of 126 for “"Semiclassical"”.
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Semiclassical Studies in Molecular Dynamics
Made available in DSpace on 2015-05-13T15:17:44Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 7820981.PDF: 3091673 bytes, checksum: 220d14788ce00cf9457a586cfcad7c09 (MD5) Previous issue date: 1978
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SEMICLASSICAL VIBRATIONAL SPECTROSCOPY BEYOND POWER SPECTRA
… essential for reliable spectral assignment. Semiclassical (SC) molecular dynamics offers an effective compromise between accuracy and computational cost, incorporating key quantum effects through the propagation of classical trajectories. Traditionally, SC vibrational spectroscopy has focused …
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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 …
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Topics in semiclassical and quantum gravity
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Physics, 1995.
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The semiclassical limit of quantum dynamics
We study the ħ→0 limit of the quantum dynamics determined by the Hamiltonian H(ħ) = -(ħ²/2m)Δ + Ｖ on L²(ℝ<sup>n</sup>) for a large class of potentials. By convolving with certain Gaussian states we obtain classically determined asymptotic behavior of the quantum evolution of states of compact …
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Semiclassical hybrid dynamics for open quantum systems
In this work the semiclassical hybrid dynamics is extended in order to be capable of treating open quantum systems considering finite baths. The corresponding phenomena, i.e. decoherence and dissipation, are investigated for various scenarios.
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Semiclassical spectral analysis of discrete Witten Laplacians
… construction of a discrete Witten complex and a semiclassical analysis of the corresponding discrete Witten Laplacian on 1-forms. The result can be reformulated in terms of metastable Markov processes on the lattice.
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Semiclassical Methods in Finite Temperature Field Theory
Submitted by Carolyn Rauber (crauber2@illinois.edu) on 2011-06-03T16:54:15Z No. of bitstreams: 1 1981_noble.pdf: 3900265 bytes, checksum: 95af4c4eb39c993b10cb5c13a8602cc6 (MD5)
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Cauchy Slice Holography and the Semiclassical Approximation
… arbitrary boundary manifold---at least near the semiclassical regime. However, the $T^2$-deformed theory may be easier to UV complete, in which case it would be natural to take it as the definition of nonperturbative quantum gravity. We then explore the semiclassical approximation to canonical …
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Semiclassical studies of decoherence produced by scattering
… single beam of helium particles, we instead use semiclassical techniques to simulate an initially coherent superposition of helium particles with equal probabilities of interacting with the surface or not interacting with the surface. We then evolve the classical mechanical trajectories, and …
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Correlated trajectories in semiclassical approaches to quantum chaos
… concerned with the application and extension of semiclassical methods, involving correlated trajectories, that were recently developed to explain the observed universal statistics of classically chaotic quantum systems. First we consider systems that depend on an external parameter that does not …
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SEMICLASSICAL MOLECULAR DYNAMICS OF ADIABATIC AND NONADIABATIC PROCESSES
… more complicated and computationally daunting. Semiclassical methods are in part able to conciliate the best features of both worlds, allowing for an intuitive description of the underlying nuclear quantum dynamics based on classical molecular dynamics and at the same time keeping the …
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DEVELOPMENT OF ALGORITHMS FOR CLASSICAL AND SEMICLASSICAL DYNAMICS
… potentials. We implement these analyses for semiclassical theories, in which the symplectic monodromy matrix naturally occurs. When the calculation of the monodromy matrix becomes prohibitively expensive, we show how to use a neural gas algorithm to tessellate the phase space traversed by …
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Semiclassical approximations for single eigenstates of quantum maps
In der vorliegenden Arbeit wird die Fredholm-Methode zur semiklassischen Berechnung einzelner Eigenzustaende von Quantenabbildungen eingesetzt. Es wird gezeigt, wie auch Eigenzustaende zu entarteten Eigenwerten berechnet werden koennen. Die semiklassische Berechnung eines Eigenzustandes erfolgt …
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Semiclassical and Classical Theories of Molecular Rotational Phenomena
Made available in DSpace on 2014-12-13T20:10:03Z (GMT). No. of bitstreams: 1 7709219.pdf: 2963449 bytes, checksum: 821b51caf3ff28cef1d26ed1221286ee (MD5) Previous issue date: 1976
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Semiclassical Scattering for Two and Three Body Systems
Semiclassical scattering theory can be summarized as the study of connections between classical mechanics and quantum mechanics in the limit ℏ → 0 over the infinite time domain -∞ < t < ∞. After a brief discussion of Semiclassical Analysis and Scattering Theory we provide a rigorous result …
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SEMICLASSICAL APPROACHES FOR RATE CONSTANT CALCULATIONS AND VIBRATIONAL SPECTROSCOPY
… semiclassica nella sua formulazione come Semiclassical Transition State Theory (SCTST). Dal punto di vista della cinetica chimica, viene sviluppato il programma FDACC per facilitare il calcolo delle costanti anarmoniche su architetture parallele, interfacciandosi con codici ab initio, …
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Controlled derivation of semiclassical transport equations for electroweak baryogenesis
… we provide a controlled derivation of semiclassical transport equations for CP-violating flows for a system of scalar and fermionic fields in the presence of a slowly varying background field. This is the situation in a first order electroweak phase transition, where the background is …
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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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