Related papers: 4-component Relativistic Calculations in a Multiwa…
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…
The multiconfiguration Dirac-Fock (MCDF) model uses a linear combination of Slater determinants to approximate the electronic $N$-body wave function of a relativistic molecular system, resulting in a coupled system of nonlinear eigenvalue…
The one-particle three-dimensional Dirac equation with spherical symmetry is solved for the Hulthen potential. The s-wave relativistic energy spectrum and two-component spinor wavefunctions are obtained analytically. Conforming to the…
New techniques in core-electron spectroscopy are necessary to resolve the structures of oxides of $f$-elements and other strongly correlated materials that are present only as powders and not as single crystals. Thus, accurate quantum…
The Relativistic Dynamical Inversion technique, a novel tool for finding analytical solutions to the Dirac equation, is written in explicitly covariant form. It is then shown how the technique can be used to make a change from Cartesian to…
We develop a relativistic free wave equation on the complexified quaternions, linear in the derivatives. Even if the wave functions are only one-component, we show that four independent solutions, corresponding to those of the Dirac…
The reduced basis method is used to construct a "universal" basis of Dirac orbitals that may be applicable throughout the nuclear chart to calibrate covariant energy density functionals. Relative to our earlier work using the…
We obtain a symmetric tridiagonal matrix representation of the Dirac-Coulomb operator in a suitable complete square integrable basis. Orthogonal polynomials techniques along with Darboux method are used to obtain the bound states energy…
In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using…
Consider a formally self-adjoint first order linear differential operator acting on pairs (2-columns) of complex-valued scalar fields over a 4-manifold without boundary. We examine the geometric content of such an operator and show that it…
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…
The Dirac equation for H$_2^+$ is solved numerically by expansion in a basis set of two-center exponential functions, using different kinetic balance schemes. Very high precision (27-32 digits) is achieved, either with the dual kinetic…
We extract the square root of the Minkowski metric using Dirac/Clifford matrices. The resulting $4\times 4$ operator $d{\bf S}$ that represents the square root, can be used to transform four vectors between relatively moving observers. This…
A new method for solving the time-dependent two-center Dirac equation is developed. The time-dependent Dirac wave function is represented as a sum of atomic-like Dirac-Sturm orbitals, localized at the ions. The atomic orbitals are obtained…
We report the implementation of effective QED potentials for all-electron 4-component relativistic molecular calculations using the DIRAC code. The potentials are also available for 2-component calculations, proper picture-change being…
We derive a Dirac-like equation, the asymmetric Dirac equation, where particles and antiparticles sharing the same wave number have different energies and momenta. We show that this equation is Lorentz covariant under proper Lorentz…
The relativistic corrections for the Dirac-Coulomb system are derived through the method of non-relativistic expansion. By expanding the large and small components of the Dirac wave function and the energy eigenvalues in terms of the square…
In this article we present the algebraic rearrangement, or matrix inversion of the Dirac equation in a curved Riemann-Cartan spacetime with torsion, the presence of non-vanishing torsion is implied by the intrinsic spin-1/2 of the Dirac…
We establish global existence and derive sharp pointwise decay estimates of solutions to cubic Dirac and Dirac-Klein-Gordon systems on a curved background, close to the Minkowski spacetime. By squaring the Dirac operator, we reduce the…
We derive a general relativistic Hamiltonian valid for both bound and scattering systems by reducing the four-component Dirac equation to a two-component Dirac-Pauli form. Unlike conventional approaches, our formulation includes first-order…