scholarly journals An integral-transformation corresponding to quantum mechanical fundamental commutative relation and its application in deriving Wigner function

2015 ◽  
Vol 64 (5) ◽  
pp. 050301
Author(s):  
Fan Hong-Yi ◽  
Liang Zu-Feng
Keyword(s):  
Wigner Function ◽  
Integral Transformation ◽  
Quantum Mechanical ◽  
Commutative Relation

Statistical mechanics of a spin-polarized plasma

1988 ◽  
Vol 40 (2) ◽  
pp. 199-213 ◽  
Author(s):  
W. Y. Zhang ◽  
R. Balescu
Keyword(s):  
Statistical Mechanics ◽  
Wigner Function ◽  
Bbgky Hierarchy ◽  
Phenomenological Theory ◽  
Distribution Functions ◽  
Quantum Mechanical ◽  
Canonical Variables ◽  
Lie Bracket ◽  
Spin Polarized ◽  
Generalized Matrix

The statistical mechanics of a spin-polarized plasma is investigated in detail. A rigorous quantum-mechanical description is constructed in terms of a generalized matrix Wigner function. In order to ensure the manifest gauge invariance of the theory, the non-canonical variables q (position) and π (mechanical momentum) are used for the particles. The evolution equation for the phase-space Wigner function, as well as the BBGKY hierarchy for the reduced distribution functions, are derived. A general expression is found for the quantum-mechanical realization of the Lie bracket of any pair of dynamical functions. In the quasi-classical limit, the equations of evolution and the Lie bracket reduce to a simple form. Our approach is compared with the previous semi-phenomenological theory of Cowley, Kulsrud and Valeo.

Wigner-function description of quantum-mechanical nonlocality

1991 ◽  
Vol 44 (9) ◽  
pp. 6109-6114 ◽  
Author(s):  
A. Venugopalan ◽  
R. Ghosh
Keyword(s):  
Wigner Function ◽  
Quantum Mechanical

QUANTUM-MECHANICAL STUDY OF FRICTION IN NANOCONTACTS

2017 ◽  
Vol 8 (3) ◽  
pp. 231-241
Author(s):  
V. G. Zavodinsky ◽  
O. I. Kaminsky
Keyword(s):  
Quantum Mechanical ◽  
Mechanical Study ◽  
Quantum Mechanical Study

Quantum-mechanical calculations of atoms charge state in Cd2P3Cl(Br,I) single crystals

2003 ◽  
Vol 13 (0) ◽  
pp. 95-105
Author(s):  
В. М. Жихарев ◽  
І. Д. Сейковський
Keyword(s):  
Single Crystals ◽  
Charge State ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations

Operators and meaning of wave function

2016 ◽  
pp. 4039-4042
Author(s):  
Viliam Malcher
Keyword(s):  
Wave Function ◽  
Quantum Theory ◽  
State Vector ◽  
The State ◽  
Physical Significance ◽  
Central Problem ◽  
Quantum Mechanical ◽  
Mechanical Description ◽  
Quantum Mechanical Description ◽  
Interpretation Of Quantum Theory

The interpretation problems of quantum theory are considered. In the formalism of quantum theory the possible states of a system are described by a state vector. The state vector, which will be represented as |ψ> in Dirac notation, is the most general form of the quantum mechanical description. The central problem of the interpretation of quantum theory is to explain the physical significance of the |ψ>. In this paper we have shown that one of the best way to make of interpretation of wave function is to take the wave function as an operator.

Optical and Electrical Properties of Organic Conducting Polymers

2014 ◽  
Vol 8 (1) ◽  
pp. 1457-1463
Author(s):  
Salah Abdulla Hasoon
Keyword(s):  
Electrical Properties ◽  
Conjugated Polymer ◽  
Polymeric Materials ◽  
Quantum Mechanical ◽  
Optical And Electrical Properties ◽  
Electrically Conducting ◽  
Temperature Ranges ◽  
Lithium Tetrafluoroborate ◽  
Absorbance Peak ◽  
Polymerization Method

Novel electrically conducting polymeric materials are prepared in this work. Polythiophene (PT) and poly (3-Methelthiophene) (P3MT) films were prepared by electro-polymerization method using cyclic voltammetry in acetonitrile as a solvent and lithium tetrafluoroborate as the electrolyte on a gold electrode. Electrical properties of P3MT have been examined in different environments using UV-Vis absorption spectroscopy and quantum mechanical ab initio calculations, The observed absorption peaks at 314 and 415 nm, were attributed to the n-π* and π-π* transitions, respectively in the conjugated polymer chain, in contrast, the observed absorbance peak at 649 nm, is responsible for electric conduction. The temperature dependence of the conductivity can be fitted to the Arrhenius and the VTF equations in different temperature ranges.

Bonded Force Constant Derivation of Lysine-Arginine Cross-linked Advanced Glycation End-Products

2018 ◽  
Author(s):  
Anthony Nash ◽  
Nora H de Leeuw ◽  
Helen L Birch
Keyword(s):  
Molecular Dynamics ◽  
Force Constant ◽  
Computational Study ◽  
Force Constants ◽  
Quantum Mechanical ◽  
Advanced Glycation ◽  
Partial Charges ◽  
Cross Links ◽  
Complete Set ◽  
Dynamics Simulations

<div> <div> <div> <p>The computational study of advanced glycation end-product cross- links remains largely unexplored given the limited availability of bonded force constants and equilibrium values for molecular dynamics force fields. In this article, we present the bonded force constants, atomic partial charges and equilibrium values of the arginine-lysine cross-links DOGDIC, GODIC and MODIC. The Hessian was derived from a series of <i>ab initio</i> quantum mechanical electronic structure calculations and from which a complete set of force constant and equilibrium values were generated using our publicly available software, ForceGen. Short <i>in vacuo</i> molecular dynamics simulations were performed to validate their implementation against quantum mechanical frequency calculations. </p> </div> </div> </div>

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