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Full-Text Articles in Physics
Dft-Based Study Of Electric Field Effect On The Polarizability Of Three Ringed Nematic Liquid Crystal Molecules, Pranav Upadhyay, Mirtunjai Mishra, Ankur Trivedi, Jitendra Kumar, Asheesh Kumar, Devesh Kumar
Dft-Based Study Of Electric Field Effect On The Polarizability Of Three Ringed Nematic Liquid Crystal Molecules, Pranav Upadhyay, Mirtunjai Mishra, Ankur Trivedi, Jitendra Kumar, Asheesh Kumar, Devesh Kumar
Makara Journal of Science
Owing to its successful application to complex molecular systems, computational density functional theory (DFT) has been used to study the effect of an electric field on the molecular polarizability and HOMO–LUMO gap of 1-phenyl-4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}benzene (1) and its fluoro-, chloro-, and cyano- derivatives, namely, 1-fluoro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (2), 1-chloro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (3), and 4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzonitrile (4). These molecules belong to the family of nematic liquid crystals with three rings: two benzene and one cyclohexane. Furthermore, two DFT approaches, namely, B3LYP and M062X, have been used to examine the results obtained. This study reveals a remarkable feature: the polarizability of these molecules follows nearly a step function …
Complex Diffusion Monte-Carlo Method: Test By The Simulation Of The 2d Fermions, Bakhodir Abdullaev, Mirzayousuf Musakhanov, Atsushi Nakamura
Complex Diffusion Monte-Carlo Method: Test By The Simulation Of The 2d Fermions, Bakhodir Abdullaev, Mirzayousuf Musakhanov, Atsushi Nakamura
Bulletin of National University of Uzbekistan: Mathematics and Natural Sciences
On the base of the diffusion Monte-Carlo method we develop the method allowing to simulate the quantum systems with complex wave function. The method is exact and there are no approximations on the simulations of the module and the phase of the system's wave function. In our method averaged value of any quantity have no direct contribution from the phase of distribution function but only from the phase of the Green function of diffusion equation. We test the method by the simulations of the ground state of fermions in two-dimensional parabolic well. Anyons are used for the representation of the …
Quantum Interference In Monocyclic Molecules: A Novel And Straightforward Phase Wave Model, Zainelabideen Yousif Mijbil
Quantum Interference In Monocyclic Molecules: A Novel And Straightforward Phase Wave Model, Zainelabideen Yousif Mijbil
Karbala International Journal of Modern Science
We have proposed by far the simplest model, so-called phase wave model (PWM), to predict quantum interference states in monocyclic molecules. Meanwhile, transmission coefficient calculations were also performed using Green’s function method incorporated with Hückel (Tight Binding) approximation. An impressive agreement has been obtained between the results of the phase wave model and the ones from transmission coefficient calculations for the chosen model systems, namely benzene, cycloheptatriene, cyclooctatetraene, and [10]annulene. PWM represents the phase of wave functions of the incoming electrons by a wave and associates a single wavelength of the phase with five atoms/sites. Hence, the electrical conductance would …
Nitrogen Vacancy Center Optical Magnetometry Of A Barium-Iron-Cobalt Superconductor, William Setterberg
Nitrogen Vacancy Center Optical Magnetometry Of A Barium-Iron-Cobalt Superconductor, William Setterberg
Macalester Journal of Physics and Astronomy
Experimentally probing the intrinsic properties of superconductors—such as the London penetration depth λ and the critical fields Hc1 and Hc2—poses a difficult task. Various sample- and measurement-related factors can impact the efficacy of results obtained for λ or Hc1, such as perturbations to the magnetic properties of a superconducting sample or crystalline defects. One measurement technique that can minimize the impact of both of these issues is known as Nitrogen Vacancy (NV) center magnetometry. In this work, we use NV center magnetometry to perform minimally-invasive measurements of the lower critical field Hc1 and the …