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In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…

Chemical Physics · Physics 2021-10-05 Simone Taioli , Stefano Simonucci

Applications of the Dirac equation with an anomalous magnetic moment are considered for description of characteristics of electrons, muons and quarks. The Dirac equation with four-dimensional scalar and vector potentials is reduced to a…

High Energy Physics - Phenomenology · Physics 2010-04-14 V. V. Khruschov

We report tests and results from a new approach to the spectral density and the mode number distribution of the Dirac operator in lattice gauge theories. The algorithm generates the spectral density of the lattice Dirac operator as a…

High Energy Physics - Lattice · Physics 2016-05-27 Zoltan Fodor , Kieran Holland , Julius Kuti , Santanu Mondal , Daniel Nogradi , Chik Him Wong

Molecular representations are of fundamental importance for the modeling and analysis of molecular systems. Representation models and in general approaches based on topological data analysis (TDA) have demonstrated great success in various…

Biomolecules · Quantitative Biology 2025-11-26 JunJie Wee , Ginestra Bianconi , Kelin Xia

Background: The isotropic harmonic oscillator supplemented by a strong spin-orbit interaction has been the cornerstone of nuclear structure since its inception more than seven decades ago. In this paper we introduce---or rather…

Nuclear Theory · Physics 2020-11-11 Junjie Yang , J. Piekarewicz

We present a new open source software for the integration of the radial Dirac equation developed specifically with muonic atoms in mind. The software, called mudirac, is written in C++ and can be used to predict frequencies and…

Computational Physics · Physics 2021-03-29 Simone Sturniolo

An extension of the Dirac procedure for the quantization of constrained systems is necessary to address certain issues that are left open in Dirac's original proposal. These issues play an important role especially in the context of…

General Relativity and Quantum Cosmology · Physics 2009-10-22 A. Ashtekar , Ranjeet S. Tate

The Dirac equation for H$_2^+$ is solved numerically using an iterative method proposed by Kutzelnigg [Z. Phys. 11, 15 (1989]. The four-component wavefunction is expanded in a newly introduced kinetically balanced exponential basis set. The…

Atomic Physics · Physics 2022-06-15 Hugo D. Nogueira , Vladimir I. Korobov , Jean-Philippe Karr

The Dirac quantization `procedure' for constrained systems is well known to have many subtleties and ambiguities. Within this ill-defined framework, we explore the generality of a particular interpretation of the Dirac procedure known as…

General Relativity and Quantum Cosmology · Physics 2008-11-26 Domenico Giulini , Donald Marolf

Dirac coupled channel calculations are performed phenomenologically for the high-lying excited states that belong to the 2$^+$ gamma vibrational band at the 800-MeV polarized proton inelastic scatterings from the s-d shell nuclei, $^{24}$Mg…

Nuclear Theory · Physics 2017-04-26 Sugie Shim

The system describing a single Dirac electron field coupled with classically moving point nuclei is presented and studied. The model is a semi-relativistic extension of corresponding time-dependent one-body Hartree-Fock equation coupled…

Analysis of PDEs · Mathematics 2019-02-05 Federico Cacciafesta , Anne-Sophie de Suzzoni , Diego Noja

Integration of the Dirac equation with an external electromagnetic field is explored in the framework of the method of separation of variables and of the method of noncommutative integration. We have found a new type of solutions that are…

Mathematical Physics · Physics 2017-01-06 A. I. Breev , A. V. Shapovalov

Using the example of a Dirac particle in external static fields, Dirac theory is reformulated as a one-particle quantum theory in the space of normalized two-component spinors. In this formulation, the Dirac operator ``splits'' into two…

General Physics · Physics 2026-05-29 N. L. Chuprikov

We present a new ab initio approach to study molecules containing heavy atoms strongly interacting with quantum fields in optical devices. The theory has been derived from the relativistic quantum electrodynamics (QED) introducing the…

Chemical Physics · Physics 2025-07-03 Guillaume Thiam , Riccardo Rossi , Henrik Koch , Leonardo Belpassi , Enrico Ronca

Presented is a quantum computing representation of Dirac particle dynamics. The approach employs an operator splitting method that is an analytically closed-form product decomposition of the unitary evolution operator. This allows the Dirac…

Quantum Physics · Physics 2013-07-16 Jeffrey Yepez

Random Matrix Theory has been a unifying approach in physics and mathematics.In these lectures we discuss applications of Random Matrix Theory to QCD and emphasize underlying integrable structures. In the first lecture we give an overview…

High Energy Physics - Theory · Physics 2007-05-23 J. J. M. Verbaarschot

We study the theory of systems with constraints from the point of view of the formal theory of partial differential equations. For finite-dimensional systems we show that the Dirac algorithm completes the equations of motion to an…

High Energy Physics - Theory · Physics 2009-10-28 Werner M. Seiler , Robin W. Tucker

The Dirac equation may be thought as originating from a theory of five-dimensional (5D) space-time. We define a special 5D Clifford algebra and introduce a spin-1/2 constraint equation to describe null propagation in a 5D space-time…

High Energy Physics - Theory · Physics 2020-07-22 Romulus Breban

This paper develops the theory of discrete Dirac reduction of discrete Lagrange-Dirac systems with an abelian symmetry group acting on the configuration space. We begin with the linear theory and, then, we extend it to the nonlinear setting…

Mathematical Physics · Physics 2023-03-10 Álvaro Rodríguez Abella , Melvin Leok

Potential algebras can be used effectively in the analysis of the quantum systems. In the article, we focus on the systems described by a separable, 2x2 matrix Hamiltonian of the first order in derivatives. We find integrals of motion of…

Mathematical Physics · Physics 2015-06-11 Vit Jakubsky
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