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Full-Text Articles in Physics
A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath
A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath
Chemistry & Biochemistry Faculty Publications
We report and interpret recently recorded high-resolution infrared spectra for the fundamentals of the CH2 scissors and CH stretches of gas phase cyclopentane at −26.1 and −50 ○C, respectively. We extend previous theoretical studies of this molecule, which is known to undergo barrierless pseudorotation due to ring puckering, by constructing local mode Hamiltonians of the stretching and scissor vibrations for which the frequencies, couplings, and linear dipoles are calculated as functions of the pseudorotation angle using B3LYP/6-311++(d,p) and MP2/cc-pVTZ levels of theory. Symmetrization (D5h) of the vibrational basis sets leads to simple vibration/pseudorotation Hamiltonians whose solutions …
Quantum Simulation Of Schrödinger's Equation, Mohamed Eltohfa
Quantum Simulation Of Schrödinger's Equation, Mohamed Eltohfa
Capstone and Graduation Projects
Quantum computing is one of the promising active areas in physics research. This is because of the potential of quantum algorithms to outperform their classical counterparts. Grover’s search algorithm has a quadratic speed-up compared to the classical linear search. The quantum simulation of Schrödinger’s equation has an exponential memory save-up compared to the classical simulation. In this thesis, the ideas and tools of quantum computing are reviewed. Grover’s algorithm is studied and simulated as an example. Using the Qiskit quantum computing library, a code to simulate Schrödinger’s equation for a particle in one dimension is developed, simulated locally, and run …
Discrete Excitation Spectrum Of A Classical Harmonic Oscillator In Zero-Point Radiation, Wayne Cheng-Wei Huang, Herman Batelaan
Discrete Excitation Spectrum Of A Classical Harmonic Oscillator In Zero-Point Radiation, Wayne Cheng-Wei Huang, Herman Batelaan
Department of Physics and Astronomy: Faculty Publications
We report that upon excitation by a single pulse, a classical harmonic oscillator immersed in the classical electromagnetic zero-point radiation exhibits a discrete harmonic spectrum in agreement with that of its quantum counterpart. This result is interesting in view of the fact that the vacuum field is needed in the classical calculation to obtain the agreement.
Dynamics Underlying The Gaussian Distribution Of The Classical Harmonic Oscillator In Zero-Point Radiation, Wayne Cheng-Wei Huang, Herman Batelaan
Dynamics Underlying The Gaussian Distribution Of The Classical Harmonic Oscillator In Zero-Point Radiation, Wayne Cheng-Wei Huang, Herman Batelaan
Department of Physics and Astronomy: Faculty Publications
Stochastic electrodynamics (SED) predicts a Gaussian probability distribution for a classical harmonic oscillator in the vacuum field. This probability distribution is identical to that of the ground state quantum harmonic oscillator. Thus, the Heisenberg minimum uncertainty relation is recovered in SED. To understand the dynamics that give rise to the uncertainty relation and the Gaussian probability distribution, we perform a numerical simulation and follow the motion of the oscillator. The dynamical information obtained through the simulation provides insight to the connection between the classic double-peak probability distribution and the Gaussian probability distribution. A main objective for SED research is to …