scholarly journals Solving Dirac equation using the tridiagonal matrix representation approach

2016 ◽  
Vol 380 (18-19) ◽  
pp. 1577-1581 ◽  
Author(s):  
A.D. Alhaidari ◽  
H. Bahlouli ◽  
I.A. Assi
Keyword(s):  
Dirac Equation ◽  
Matrix Representation ◽  
Tridiagonal Matrix ◽  
Tridiagonal Matrix Representation

Matrix Approximations

2007 ◽  
Author(s):  
Kenneth G. Dyall ◽  
Knut Faegri
Keyword(s):  
Dirac Equation ◽  
Quantum Chemistry ◽  
Matrix Representation ◽  
Finite Basis ◽  
Basis Set ◽  
Basis Sets ◽  
Dirac Matrix ◽  
The Matrix ◽  
Proper Account ◽  
Matrix Approximations

In quantum chemistry, regardless of which operators we choose for the Hamiltonian, we almost invariably implement our chosen method in a finite basis set. The Douglas– Kroll and Barysz–Sadlej–Snijders methods in the end required a matrix representation of the momentum-dependent operators in the implementation, and the regular methods usually end up with a basis set, even if the potentials are tabulated on a grid. Why not start with a matrix representation of the Dirac equation and perform transformations on the Dirac matrix rather than doing operator transformations, for which the matrix elements are difficult to evaluate analytically? It is almost always much easier to do manipulations with matrices of operators than with the operators themselves. Provided proper account is taken in the basis sets of the correct relationships between the range and the domain of the operators (Dyall et al. 1984), matrix manipulations can be performed with little or no approximation beyond the matrix representation itself. In this chapter, we explore the use of matrix approximations.

Bosonic Symmetries, Solutions, and Conservation Laws for the Dirac Equation with Nonzero Mass

2013 ◽  
Vol 58 (6) ◽  
pp. 523-533 ◽  
Author(s):  
V.M. Simulik ◽  
◽  
I.Yu. Krivsky ◽  
I.L. Lamer ◽  
◽  
...  
Keyword(s):  
Dirac Equation ◽  
Conservation Laws

SPIN-SPIN INTERACTION IN ONE PARTICLE DIRAC EQUATION

1999 ◽  
Vol 4 (0) ◽  
pp. 66-68
Author(s):  
І. І. Гайсак ◽  
В. С. Морохович
Keyword(s):  
Dirac Equation ◽  
Spin Interaction

Introduction to Relativistic Quantum Chemistry

2007 ◽  
Author(s):  
Kenneth G. Dyall ◽  
Knut Faegri
Keyword(s):  
Dirac Equation ◽  
Quantum Chemistry ◽  
Relativistic Theory ◽  
Density Functional ◽  
Relativistic Quantum ◽  
Relativistic Effects ◽  
Basis Sets ◽  
Spin Orbit ◽  
Approximate Methods ◽  
Nonrelativistic Theory

This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.

scholarly journals Virial identity and weak dispersion for the magnetic Dirac equation

2011 ◽  
Vol 95 (2) ◽  
pp. 137-150 ◽  
Author(s):  
Nabile Boussaid ◽  
Piero D'Ancona ◽  
Luca Fanelli
Keyword(s):  
Dirac Equation ◽  
Virial Identity

scholarly journals Photonic realization of the κ -deformed Dirac equation

2021 ◽  
Vol 104 (1) ◽  
Author(s):  
P. Majari ◽  
E. Sadurní ◽  
M. R. Setare ◽  
J. A. Franco-Villafañe ◽  
T. H. Seligman
Keyword(s):  
Dirac Equation

scholarly journals On the nonlinear Dirac equation on noncompact metric graphs

2021 ◽  
Vol 278 ◽  
pp. 326-357
Author(s):  
William Borrelli ◽  
Raffaele Carlone ◽  
Lorenzo Tentarelli
Keyword(s):  
Dirac Equation ◽  
Metric Graphs ◽  
Nonlinear Dirac Equation
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