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We present new efficient (O(N log N)) methods for computing three quantities crucial to electronic structure calculations: the ionic potential, the electron-ion contribution to the Born-Oppenheimer forces, and the electron-ion contribution…

Materials Science · Physics 2009-11-07 Nicholas Choly , Efthimios Kaxiras

The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…

Plasma Physics · Physics 2019-09-04 Matthew S. Mitchell , Matthew T. Miecnikowski , Gregory Beylkin , Scott E. Parker

Tracking calculations of charged particles in electromagnetic fields require in principle the simultaneous solution of the equation of motion and of Maxwell's equations. In many tracking codes a simpler and more efficient approach is used:…

Accelerator Physics · Physics 2012-01-26 M. Dohlus , K. Flottmann , C. Henning

We present a new algorithm to rapidly and optimally compute power spectra. This new algorithm is based on a generalization of iterative multigrid, and has computational cost O(N log N), compared to the standard brute force approach which…

Astrophysics · Physics 2009-11-07 Ue-Li Pen

We present a fast algorithm for computing the diffracted field from arbitrary binary (sharp-edged) planar apertures and occulters in the scalar Fresnel approximation, for up to moderately high Fresnel numbers ($\lesssim 10^3$). It uses a…

Instrumentation and Methods for Astrophysics · Physics 2020-12-18 Alex H. Barnett

The approximate computation of all gravitational forces between $N$ interacting particles via the fast multipole method (FMM) can be made as accurate as direct summation, but requires less than $\mathcal{O}(N)$ operations. FMM groups…

Instrumentation and Methods for Astrophysics · Physics 2014-05-12 Walter Dehnen

Wakefield structures are critical for beam manipulation in free-electron lasers (FELs), particularly when serving as dechirpers, where beam-induced longitudinal wakefields compensate the energy chirp introduced during beam magnetic…

We present concise, computationally efficient formulas for several quantities of interest -- including absorbed and scattered power, optical force (radiation pressure), and torque -- in scattering calculations performed using the…

Computational Physics · Physics 2015-07-20 M. T. Homer Reid , Steven G. Johnson

Linear scaling methods provide total energy, but no energy levels and canonical wavefuctions. From the density matrix computed through the density matrix purification methods, we propose an order-N (O(N)) method for calculating both the…

Materials Science · Physics 2007-06-27 H. J. Xiang , Jinlong Yang , J. G. Hou , Qingshi Zhu

Orbital-free density functional theory (OFDFT) offers a challenging way of electronic-structure calculations scaled as $\mathcal{O}(N)$ computation for system size $N$. We here develop a scheme of the OFDFT calculations based on the…

Computational Physics · Physics 2021-09-06 Fumihiro Imoto , Masatoshi Imada , Atsushi Oshiyama

We propose a new and simple strategy for controlled ionization-induced trapping of electrons in a beam-driven plasma accelerator. The presented method directly exploits electric wakefields to ionize electrons from a dopant gas and capture…

Accelerator Physics · Physics 2015-06-09 A. Martinez de la Ossa , J. Grebenyuk , T. Mehrling , L. Schaper , J. Osterhoff

We propose to use tightly focused lasers to generate high quality electron beams in laser wakefield accelerators. In this scheme, the expansion of the laser beam after the focal position enlarges the size of wakefield bubble, which reduces…

Accelerator Physics · Physics 2023-09-29 Jia Wang , Ming Zeng , Dazhang Li , Xiaoning Wang , Jie Gao

Coherent Synchrotron Radiation has been studied effectively using a 1-dimensional model for the charge distribution in the realm of small angle approximations and high energies. Here we use Jefimenko's form of Maxwell's equations, without…

Accelerator Physics · Physics 2009-03-12 Christopher Mayes , Georg Hoffstaetter

Particle accelerators support a wide array of scientific, industrial, and medical applications. To meet the needs of these applications, accelerator physicists rely heavily on detailed simulations of the complicated particle beam dynamics…

Accelerator Physics · Physics 2022-03-16 Auralee Edelen , Christopher Mayes

Most self-force calculations rely, in one way or another, on representations of a particle's Detweiler- Whiting singular field. We present a simple method of calculating the singular field to high order in a local expansion in powers of…

General Relativity and Quantum Cosmology · Physics 2024-11-04 Patrick Bourg , Adam Pound , Samuel D. Upton , Rodrigo Panosso Macedo

Self-gravitational force calculation for infinitesimally thin disks is important for studies on the evolution of galactic and protoplanetary disks. Although high-order methods have been developed for hydrodynamic and magneto-hydrodynamic…

Instrumentation and Methods for Astrophysics · Physics 2019-06-05 Hsiang-Hsu Wang , Ming-Cheng Shiue , Rui-Zhu Wu , Chien-Chang Yen

We propose a self-consistent simulation model for particle beams in accelerators, which includes the impact of electromagnetic wakefields caused by the geometry of the accelerator chamber. The method is based on a scattered-field…

Computational Physics · Physics 2026-03-13 J. Christ , E. Gjonaj , H. De Gersem

The operation of a Free Electron Laser (FEL) in the ultraviolet or in the X-ray regime requires the acceleration of electron bunches with an rms length of 25 to 50 micro meters. The wakefields generated by these sub picosecond bunches…

Accelerator Physics · Physics 2007-05-23 P. Huelsmann , W. F. O. Mueller , H. Klein

In this work we propose and analyse a numerical method for computing a family of highly oscillatory integrals with logarithmic singularities. For these quadrature rules we derive error estimates in terms of $N$, the number of nodes, $k$ the…

Numerical Analysis · Mathematics 2013-11-19 Victor Dominguez

High-level vibrational calculations have been used to investigate anharmonicity in a wide variety of materials using density-functional-theory (DFT) methods. We have developed a new and efficient approach for describing strongly-anharmonic…

Materials Science · Physics 2017-06-20 Joseph C. A. Prentice , R. J. Needs
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