Related papers: Time-Dependent Density Functional Theory with the …

The time-dependent density functional theory (TDDFT) has been broadly used to investigate the excited-state properties of various molecular systems. However, the current TDDFT heavily relies on outcomes from the corresponding ground-state…

We analyze in detail the error that arises from the linearization in linearized augmented-plane-wave (LAPW) basis functions around predetermined energies $E_l$ and show that it can lead to undesirable dependences of the calculated results…

Achieving both high-performance and wide field-of-view (FOV) super-resolution imaging has been attracting increasing attention in recent years. However, such goal suffers from long reconstruction time and huge storage space. Parallel…

We present a new approach for constructing optical phase-space-time-frequency tomography (OPSTFT) of an optical wave field. This tomography can be measured by using a novel four-window optical imaging system based on two local oscillator…

Orthogonal Time Frequency Space (OTFS) modulation has recently attracted significant interest due to its potential for enabling reliable communication in high-mobility environments. However, the effectiveness of OTFS receivers relies on the…

The identification of coherent structures from experimental or numerical data is an essential task when conducting research in fluid dynamics. This typically involves the construction of an empirical mode base that appropriately captures…

We present a method to make highly accurate pseudopotentials for use with orbital-free density functional theory (OF-DFT) with given exchange-correlation and kinetic energy functionals, which avoids the compounding of errors of Kohn-Sham…

We report optical parametric amplification (OPA) of low-frequency infrared pulses in the intermediate region between terahertz (THz) frequency and mid-infrared (MIR), i.e., from 16.9 to 44.8 THz. The 255-fs laser output of the Yb:KGW…

The proper orthogonal decomposition (POD) is a powerful classical tool in fluid mechanics used, for instance, for model reduction and extraction of coherent flow features. However, its applicability to high-resolution data, as produced by…

We develop a rapid and accurate contour method for the solution of time-fractional PDEs. The method inverts the Laplace transform via an optimised stable quadrature rule, suitable for infinite-dimensional operators, whose error decreases…

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…

In this paper, we propose a novel joint coding-modulation technique based on serial concatenation of orthogonal linear transform, such as discrete Fourier transform (DFT) or Walsh-Hadamard transform (WHT), with memoryless nonlinearity. We…

We propose transformed Diffsuion-Wave fractional Physics-Informed Neural Networks (tDWfPINNs) for efficiently solving time-fractional diffusion-wave equations with fractional order $\alpha\in(1,2)$. Conventional numerical methods for these…

Orthogonal time frequency space (OTFS) modulation has been confirmed to provide significant performance advantages against Doppler in high-mobility scenarios. The core feature of OTFS is that the time-variant channel is converted into a…

We introduce a computationally efficient method to calculate the quasiparticle (QP) band structure of general van der Waals (vdW) heterostructures. A layer-projected scissors (LAPS) operator, which depends on the one-body density matrix, is…

The high mobility, density and multi-path evident in modern wireless systems makes the channel highly non-stationary. This causes temporal variation in the channel distribution that leads to the existence of time-varying joint interference…

Pulsar timing experiments require high fidelity template profiles in order to minimize the biases in pulse time-of-arrival (TOA) measurements and their uncertainties. Efforts to acquire more precise TOAs given fixed effective area of…

In this study, the impact of an air bubbler on the properties of plasma-activated water (PAW) was investigated in different configurations. A pencil plasma jet (PPJ) using a dielectric barrier discharge (DBD) was used to prepare PAW. In one…

We consider the issue of high peak-to-average-power ratio (PAPR) of Orthogonal time frequency space (OTFS) modulated signals. This paper proposes a low-complexity novel iterative PAPR reduction method which achieves a PAPR reduction of…

Zak-OTFS (orthogonal time frequency space) modulation is a communication framework that parameterizes the wireless channel in the delay-Doppler (DD) domain, where the parameters map directly to physical attributes of the scatterers that…