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A new approach to finite basis sets for the Dirac equation is developed. It solves the problem of spurious states and, as a result, improves the convergence properties of basis set calculations. The efficiency of the method is demonstrated…

Atomic Physics · Physics 2009-11-10 V. M. Shabaev , I. I. Tupitsyn , V. A. Yerokhin , G. Plunien , G. Soff

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…

Computational Physics · Physics 2016-09-30 F. Fillion-Gourdeau , E. Lorin , A. D. Bandrauk

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…

A two-dimensional, fully numerical approach to the solution of four-component Dirac-Fock equation using the moderately long Hermitian basis of B-splines is applied to H, H2+ and H2 in a strong magnetic field. The geometric parameters,…

Astrophysics · Physics 2007-05-23 G. B. Deineka

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…

Chemical Physics · Physics 2012-10-01 F. Fillion-Gourdeau , E. Lorin , A. D. Bandrauk

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…

Atomic Physics · Physics 2011-07-13 Kyle Beloy , Andrei Derevianko

A mixed basis approach based on density functional theory is employed for low dimensional systems. The basis functions are taken to be plane waves for the periodic direction multiplied by B-spline polynomials in the non-periodic direction.…

Computational Physics · Physics 2015-05-20 Chung-Yuan Ren , Chen-Shiung Hsue , Yia-Chung Chang

In this paper, we propose compactly supported radial basis functions for solving some well- known classes of astrophysics problems categorized as non-linear singular initial ordinary dif- ferential equations on a semi-infinite domain. To…

Numerical Analysis · Mathematics 2016-05-31 Kourosh Parand , Mohammad Hemami

A mixed basis approach based on density functional theory is extended to one-dimensional(1D) systems. The basis functions here are taken to be the localized B-splines for the two finite non-periodic dimensions and the plane waves for the…

Materials Science · Physics 2016-04-20 Chung-Yuan Ren , Yia-Chung Chang , Chen-Shiung Hsue

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…

Atomic Physics · Physics 2009-11-10 L. Labzowsky , A. Prozorov

This paper presents a new approach and methodology to solve the second order one dimensional hyperbolic telegraph equation with Dirichlet and Neumann boundary conditions using the cubic trigonometric B-spline collocation method. The usual…

Numerical Analysis · Mathematics 2017-09-28 Tahir Nazir , Muhammad Abbas , Ahmad Izani Md. Ismail , Ahmad Abd. Majid

It is shown that, for spherically symmetric static backgrounds, a simple reduced Dirac equation can be obtained by using the Cartesian tetrad gauge in Cartesian holonomic coordinates. This equation is manifestly covariant under rotations so…

General Relativity and Quantum Cosmology · Physics 2010-11-19 Ion I. Cotăescu

This paper proposes a strategy to solve the problems of the conventional s-version of finite element method (SFEM) fundamentally. Because SFEM can reasonably model an analytical domain by superimposing meshes with different spatial…

Numerical Analysis · Mathematics 2023-10-09 Nozomi Magome , Naoki Morita , Shigeki Kaneko , Naoto Mitsume

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…

Nuclear Theory · Physics 2009-10-31 W. Poeschl

In this paper, we provide a procedure to solve the eigen solutions of Dirac equation with complicated potential approximately. At first, we solve the eigen solutions of a linear Dirac equation with complete eigen system, which approximately…

General Physics · Physics 2017-12-08 Ying-Qiu Gu

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…

Numerical Analysis · Mathematics 2017-07-24 Przemysław Gospodarczyk , Paweł Woźny

The Bernstein polynomial basis sees significant use owing to its unique properties, particularly in the field of optimal control. However, the basis is known to have a slow rate of convergence to the function it approximates. With this in…

Optimization and Control · Mathematics 2025-09-15 Maxwell Hammond , Gage MacLin , Laurent Jay , Venanzio Cichella

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…

Atomic Physics · Physics 2023-05-10 Hugo D. Nogueira , Jean-Philippe Karr

The aim of this note is to present a numerical method to solve the Stokes problem in a bounded domain with a Dirac source term, which preserves optimality for any approximation order by the finite-element method. It is based on the…

Numerical Analysis · Mathematics 2015-05-20 Loïc Lacouture

The paper is devoted to problem of spline approximation. A new method of nodes location for curves and surfaces computer construction by means of B-splines and results of simulink-modeling is presented. The advantages of this paper is that…

Numerical Analysis · Computer Science 2011-07-22 Annapurna Sharma , Hakimjon Zaynidinov , Hoon Jae Lee
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