相关论文: Dual kinetic balance approach to basis set expansi…
Dual kinetic balance (DKB) technique was previously developed to eliminate spurious states in the finite-basis-set-based solution of the Dirac equation in central fields. In the present paper, it is extended to the Dirac equation for…
We propose an improvement of the basis for the solution of the stationary two-centre Dirac equation in Cassini coordinates using the finite-basis-set method presented in Ref. [1]. For the calculations in Ref. [1], we constructed the basis…
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…
The dual-kinetic-balance (DKB) finite basis set method for solving the Dirac equation for hydrogen-like ions [V. M. Shabaev et al., Phys. Rev. Lett. 93, 130405 (2004)] is extended to problems with a non-local spherically-symmetric…
A Galerkin method is developed to solve the time-dependent Dirac equation in prolate spheroidal coordinates for an electron-molecular two-center system. The initial state is evaluated from a variational principle using a kinetic/atomic…
Two numerical methods are used to evaluate the relativistic spectrum of the two-centre Coulomb problem (for the $H_{2}^{+}$ and $Th_{2}^{179+}$ diatomic molecules) in the fixed nuclei approximation by solving the single particle…
Discretizing the Dirac equation on a uniform grid with the central difference formula often generates spurious states. We propose a staggered-grid scheme in the framework of the finite-difference method that suppresses these spurious states…
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…
To solve the Dirac equation with the finite difference method, one has to face up to the spurious-state problem due to the fermion doubling problem when using the conventional central difference formula to calculate the first-order…
A finite element method using B-splines is presented and compared with a conventional finite element method of Lagrangian type. The efficiency of both methods has been investigated at the example of a coupled non-linear system of Dirac…
The rigorous two-center approach based on the dual-kinetically balanced finite-basis-set expansion is applied to one-electron, heteronuclear diatomic Bi-Au, U-Pb, and Cf-U quasimolecules. The obtained $1\sigma$ ground-state energies are…
One more mode developed to get eigen energies and states for the one-electron Dirac's equation with spherically symmetric bound potential. For the particular case of the Coulomb potential it was shown that the method is free of so called…
Exact solutions of the Dirac equation, a system of four partial differential equations, are rare. The vast majority of them are for highly symmetric stationary systems. Moreover, only a handful of solutions for time dependent dynamics…
The ambiguity involved in the definition of effective-mass Hamiltonians for nonrelativistic models is resolved using the Dirac equation. The multistep approximation is extended for relativistic cases allowing the treatment of arbitrary…
The electronic spectra of light one-electron quasi-molecular compounds H-H$^+$, He$^+$-He$^2+$ and He$^+$-H$^+$ are analyzed. To this end, the two-center Dirac equation is solved by the dual-kinetically balanced finite-basis-set method for…
A simple and reliable finite difference approach is presented for solution of the Dirac equation eigenproblem for states confined in rotationally symmetric systems. The method sets the boundary condition for the spinor wave function…
In the paper, we give methods of construction of dual bases for the B-spline basis and truncated power basis. Explicit formulas for the dual B-spline basis are obtained using the Legendre-like orthogonal basis of the polynomial spline space…
In this paper, the convergence of the solutions for a discretized linear state-based static peridynamic system to the corresponding continuous solution is analytically proven. To obtain an implementable model, we further apply…
By using symmetry properties, the two-body Dirac equation in coordinate representation is reduced to the coupled pair of radial second-order differential equations. Then the large-j expansion technique is used to solve a bound state…
The complete system of the B-spline solutions for the Dirac equation with the parity-nonconserving (PNC) weak interaction effective potential is obtained. This system can be used for the accurate evaluation of the radiative corrections to…