scholarly journals Modified Dirac Hamiltonian for efficient quantum mechanical simulations of micron sized devices

2016 ◽  
Vol 108 (11) ◽  
pp. 113105 ◽  
Author(s):  
K. M. Masum Habib ◽  
Redwan N. Sajjad ◽  
Avik W. Ghosh
Keyword(s):  
Quantum Mechanical ◽  
Dirac Hamiltonian

scholarly journals INSTANTON CALCULATION OF THE DENSITY OF STATES OF DISORDERED PEIERLS CHAINS

1999 ◽  
Vol 13 (13) ◽  
pp. 1601-1618 ◽  
Author(s):  
MAXIM MOSTOVOY ◽  
JASPER KNOESTER
Keyword(s):  
Density Of States ◽  
Quantum Mechanical ◽  
Gap Model ◽  
Electron States ◽  
One Dimensional ◽  
Fluctuation Method ◽  
The One ◽  
Varying Mass ◽  
Density Of Electron States ◽  
Dirac Hamiltonian

We use the optimal fluctuation method to find the density of electron states inside the pseudogap in disordered Peierls chains. The electrons are described by the one-dimensional Dirac Hamiltonian with randomly varying mass (the Fluctuating Gap Model). We establish a relation between the disorder average in this model and the quantum-mechanical average for a certain double-well problem. We show that the optimal disorder fluctuation, which has the form of a soliton–antisoliton pair, corresponds to the instanton trajectory in the double-well problem. We use the instanton method developed for the double-well problem to find the contribution to the density of states from disorder realizations close to the optimal fluctuation.

scholarly journals Non-Hermitian Dirac Hamiltonian in Three-Dimensional Gravity and Pseudosupersymmetry

2015 ◽  
Vol 2015 ◽  
pp. 1-8 ◽  
Author(s):  
Özlem Yeşiltaş
Keyword(s):  
Dirac Equation ◽  
Three Dimensional ◽  
Space Time ◽  
Time Dependent ◽  
Quantum Mechanical ◽  
De Sitter ◽  
Metric Tensor ◽  
Curved Space ◽  
Dimensional Gravity ◽  
Dirac Hamiltonian

The Dirac Hamiltonian in the(2+1)-dimensional curved space-time has been studied with a metric for an expanding de Sitter space-time which is two spheres. The spectrum and the exact solutions of the time dependent non-Hermitian and angle dependent Hamiltonians are obtained in terms of the Jacobi and Romanovski polynomials. Hermitian equivalent of the Hamiltonian obtained from the Dirac equation is discussed in the frame of pseudo-Hermiticity. Furthermore, pseudosupersymmetric quantum mechanical techniques are expanded to a curved Dirac Hamiltonian and a partner curved Dirac Hamiltonian is generated. Usingη-pseudo-Hermiticity, the intertwining operator connecting the non-Hermitian Hamiltonians to the Hermitian counterparts is found. We have obtained a new metric tensor related to the new Hamiltonian.

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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