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The energy spectral density $E(k)$, where $k$ is the spatial wave number, is a well-known diagnostic of homogeneous turbulence and magnetohydrodynamic turbulence. However in most of the curves plotted by different authors, some systematic kinks can be observed at $k=9$, $k=15$ and $k=19$. We claim that these kinks have no physical meaning, and are in fact the signature of the method which is used to estimate $E(k)$ from a 3D spatial grid. In this paper we give another method, in order to get rid of the spurious kinks and to estimate $E(k)$ much more accurately.
This paper discusses the benefits of object-oriented programming to scientific computing, using our recent calculations of exciton binding energies with time-dependent density-functional theory (arXiv: 1302.6972) as a case study. We find that an obje
ISICS, originally a C language program for calculating K-, L- and M-shell ionization and X-ray production cross sections from ECPSSR and PWBA theory, has been reengineered into a C++ language class, named ISICSoo. The new software design enables the
Since the initial work by Ashenfelter and Card in 1985, the use of difference-in-differences (DID) study design has become widespread. However, as pointed out in the literature, this popular quasi-experimental design also suffers estimation bias and
Many enhanced sampling techniques rely on the identification of a number of collective variables that describe all the slow modes of the system. By constructing a bias potential in this reduced space one is then able to sample efficiently and reconst
A physical model is presented for a semiconductor electrode of a photoelectrochemical (PEC) cell, accounting for the potential drop in the Helmholtz layer. Hence both band edge pinning and unpinning are naturally included in our description. The mode