相关论文: Symmetry Conserving Maximally Projected Wannier Fu…

Particle Swarm Optimization (PSO) is a nature-inspired meta-heuristic for solving continuous optimization problems. In the literature, the potential of the particles of swarm has been used to show that slightly modified PSO guarantees…

A band-projection formalism is developed for calculating the superfluid weight in two-dimensional multi-orbital superconductors with an orbital-dependent pairing. It is discovered that, in this case, the band geometric superfluid stiffness…

Fully-nonlocal two-projector norm-conserving pseudopotentials are shown to be compatible with a systematic approach to the optimization of convergence with the size of the plane-wave basis. A new formulation of the optimization is…

Smoothed particle hydrodynamics (SPH) has been extensively studied in computer graphics to animate fluids with versatile effects. However, SPH still suffers from two numerical difficulties: the particle deficiency problem, which will…

We present in this paper the general framework of a method which permits to restore the rotational and particle number symmetries of wave functions obtained in Skyrme HF+BCS calculations. This restoration is nothing but a projection of…

Accurate simulations of a condensed system of ions or polar molecules are concerned with proper handlings of the involved electrostatics. For such a Coulomb system at a charged planar interface, the Coulomb interaction averaged over the…

Spherical Gauss-Laguerre (SGL) basis functions, i.e., normalized functions of the type $L_{n-l-1}^{(l + 1/2)} (r^2) r^{l} Y_{lm}(\vartheta,\varphi)$, $|m| \leq l < n \in \mathbb{N}$, $L_{n-l-1}^{(l + 1/2)}$ being a generalized Laguerre…

We propose a computational scheme for the ab initio calculation of Wannier functions (WFs) for correlated electronic materials. The full-orbital Hamiltonian H is projected into the WF subspace defined by the physically most relevant…

We introduce a new practical and more general definition of local symmetry-preserving operations on polyhedra. These can be applied to arbitrary plane graphs and result in plane graphs with the same symmetry. With some additional properties…

Leonhardt demonstrated (2009) that the 2D Maxwell Fish Eye lens (MFE) can perfectly focus 2D Helmholtz waves of arbitrary frequency, i.e., it can perfectly transport an outward (monopole) 2D Helmholtz wave field, generated by a point…

We present a new full-potential method to solve the one-body problem, for example, in the local density approximation. The method uses the augmented plane waves (APWs) and the generalized muffin-tin orbitals (MTOs) together as basis sets to…

This paper introduces a new coding algorithm for Framed Pulse Width Modulation (FPWM). The proposed algorithm requires 93% fewer look-up tables (LUTs) than the previous FPWM coding algorithm and increases a bitrate by 25%. The proposed…

We pose and solve the analogue of Slepian's time-frequency concentration problem on the surface of the unit sphere to determine an orthogonal family of strictly bandlimited functions that are optimally concentrated within a closed region of…

In this paper, we propose a new algorithm, the irrational-window-filter projection method (IWFPM), for quasiperiodic systems with concentrated spectral point distribution. Based on the projection method (PM), IWFPM filters out dominant…

We present a computational scheme to study spin excitations in magnetic materials from first principles. The central quantity is the transverse spin susceptibility, from which the complete excitation spectrum, including single-particle…

In the Projector Augmented Wave (PAW) method, a local potential, basis functions, and projector functions form an All-Electron (AE) basis for valence wave functions in the application of Density Functional Theory (DFT). The construction of…

The nontrivial evolution of Wannier functions (WF) for the occupied bands is a good starting point to understand topological insulator. By modifying the definition of WFs from the eigenstates of the projected position operator to those of…

This paper presents a new technique for achieving spectral accuracy and fast computational performance in a class of black hole perturbation and gravitational self-force calculations involving extreme mass ratios and generic orbits. Called…

Fringe projection profilometry (FPP) is a widely used technique for measuring object surface form and three-dimensional (3D) geometry, capable of delivering high-precision, high-resolution measurements when paired with suitable cameras and…

We have developed the quasiparticle self-consistent GW (QSGW) method based on a recently developed mixed basis all-electron full-potential method (the PMT method), which uses the augmented plane waves (APWs) and the highly localized…