相关论文: Efficient full frequency GW for metals using a mul…
In-situ measurements of space plasma throughout the solar system require high time resolution to understand the plasma's kinetic fine structure and evolution. In this context, research~is conducted to design instruments with the capability…
We present a $GW$ space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density response and the self-energy, while we employ $k$-point sampling…
A method for performing variable-width (thawed) Gaussian wavepacket (GWP) variational dynamics on machine-learned potentials is presented. Instead of fitting the potential energy surface (PES), the anharmonic correction to the global…
This paper considers a discrete-valued signal estimation scheme based on a low-complexity Bayesian optimal message passing algorithm (MPA) for solving massive linear inverse problems under highly correlated measurements. Gaussian belief…
A fast full-wave simulation technique is presented for the analysis of large irregular planar arrays of identical 3-D metallic antennas. The solution method relies on the Macro Basis Functions (MBF) approach and an interpolatory technique…
The random-phase-approximation (RPA) method with separable residual forces (SRPA) is proposed for the description of multipole electric oscillations of valence electrons in deformed alkali metal clusters. Both the deformed mean field and…
Efficient modeling of dispersive materials via time-domain simulations of the Maxwell equations relies on the technique of auxiliary differential equations. In this approach, a material's frequency-dependent permittivity is represented via…
Peak to average power ratio (PAPR) constrained power allocation in single carrier multiuser (MU) single-input multiple-output (SIMO) systems with iterative frequency domain (FD) soft cancelation (SC) minimum mean squared error (MMSE)…
We have developed a new type of self-consistent scheme within the $GW$ approximation, which we call quasiparticle self-consistent $GW$ (QS$GW$). We have shown that QS$GW$ rather well describes energy bands for a wide-range of materials,…
A new detection method for gravitational waves (GWs) with ultra-low frequencies ($f_{\rm GW} \lesssim 10^{-10}~{\rm Hz}$), which is much lower than the range of pulsar timing arrays (PTAs), was proposed in Yonemaru et al. (2016). This…
Complete absorption of electromagnetic waves is paramount in today's applications, ranging from photovoltaics to cross-talk prevention into sensitive devices. In this context, we use a genetic algorithm (GA) strategy to optimize absorption…
We use an all-electron implementation of the GW approximation to analyze several possible sources of error in the theory and its implementation. Among these are convergence in the polarization and Green's functions, the dependence of QP…
Background: To access selected excited states of nuclei, within the framework of nuclear density functional theory, the quasiparticle random phase approximation (QRPA) is commonly used. Purpose: We present a computationally efficient, fully…
The direct random-phase approximation (dRPA) is used to calculate and compare atomization energies for the HEAT set and 10 selected molecules of the G2-1 set using both plane waves and Gaussian-type orbitals. We describe detailed procedures…
Highly mismatched alloys (HMAs) have band structures strongly modified due to the introduction of the alloying element. We consider HMAs where the isolated state of the alloying element is near the host conduction band, which causes the…
Multi principal element alloys (MPEAs) comprise a unique class of metal alloys. MPEAs have been demonstrated to possess several exceptional properties, including, as most relevant to the present study, a high corrosion resistance. In the…
The Murchison Widefield Array (MWA), and its recently-developed Voltage Capture System (VCS), facilitates extending the low-frequency range of pulsar observations at high-time and -frequency resolution in the Southern Hemisphere, providing…
The random phase approximation (RPA) and the $GW$ approximation share the same total energy functional but RPA is defined on a restricted domain of Green's functions determined by a local Kohn-Sham (KS) potential. In this work, we perform…
Synthesis of single-wavelength temporal phase-shifting algorithms (PSA) for interferometry is well-known and firmly based on the frequency transfer function (FTF) paradigm. Here we extend the single-wavelength FTF-theory to dual and…
We use the random phase approximation (RPA) method with the singles correlation energy contributions to calculate lattice energies of ten molecular solids. While RPA gives too weak binding, underestimating the reference data by $13.7$\% on…