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Different approaches to solve the spinor-spinor Bethe-Salpeter (BS) equation in Euclidean space are considered. It is argued that the complete set of Dirac matrices is the most appropriate basis to define the partial amplitudes and to solve…
Using well-calibrated experimental data we validate theoretical X-ray absorption spectroscopy (XAS) as well as X-ray emission spectroscopy (XES) calculations for titanium (Ti), titanium oxide (TiO), and titanium dioxide (TiO$_2$) at the Ti…
We propose a new objective numerical figure of merit to aid in the evaluation and comparison of tissue-selective images generated from dual-energy radiography systems. A metric is developed through identification of the requirements of a…
Considering the fact that, a wide range of variation in masses of various states of heavy pseudoscalar and vector mesons can be seen in different models and the experimental data on masses of many of these states is not yet currently…
Spectroscopies that probe electronic excitations from core levels into unoccupied orbitals, such as X-ray absorption spectroscopy and electron energy loss spectroscopy, are widely used to gain insight into the electronic and chemical…
X-ray scatter has been a serious concern in computed tomography (CT), leading to image artifacts and distortion of CT values. The linear Boltzmann transport equation (LBTE) is recognized as a fast and accurate approach for scatter…
In this paper, we propose a Bayesian spectral deconvolution considering the properties of peaks in different energy domains. Bayesian spectral deconvolution regresses spectral data into the sum of multiple basis functions. Conventional…
Static correlation error(SCE) inevitably emerges when a dissociation of a covalent bond is described with a conventional denstiy-functional theory (DFT) for electrons. SCE gives rise to a serious overshoot in the potential energy at the…
We propose a preconditioned nonlinear conjugate gradient method coupled with a spectral spatial dis-cretization scheme for computing the ground states (GS) of rotating Bose-Einstein condensates (BEC), modeled by the Gross-Pitaevskii…
The joint design of beamforming vector and artificial noise covariance matrix is investigated for the multiple-input-single-output-multiple-eavesdropper simultaneous wireless information and power transferring \mbox{(MISOME-SWIPT)} systems.…
Spectral clustering is a popular tool in network data analysis, with applications in a variety of scientific application areas. However, many studies have shown that classical spectral clustering does not perform well on certain network…
A method to achieve High-Brightness Self-Amplified Spontaneous Emission (HB-SASE) in the Free Electron Laser (FEL) is described. The method uses repeated non-equal electron beam delays to de-localise the collective FEL interaction and break…
In this article, we propose an efficient and spectrally accurate numerical method to compute the ground states of three-dimensional (3D) rotating dipolar Bose-Einstein condensates (BEC) under strongly anisotropic trapping potentials.The…
Convergence with respect to the size of the k-points sampling-grid of the Brillouin zone is the main bottleneck in the calculation of optical spectra of periodic crystals via the Bethe-Salpeter equation (BSE). We tackle this challenge by…
We present a new efficient way to perform hybrid density functional theory (DFT) based electronic structure calculation. The new method uses an interpolative separable density fitting (ISDF) procedure to construct a set of numerical…
In this work we implement the real-time time-dependent block-orthogonalized Manby-Miller embedding (rt-BOMME) approach alongside our previously developed real-time frozen density embedding time-dependent density functional theory…
Optimizing the photovoltaic efficiency of dye-sensitized solar cells (DSSC) based on staggered gap heterojunctions requires a detailed understanding of sub-band gap transitions in the visible from the dye directly to the substrate's…
The Bethe-Salpeter (BS) equation for scalar-scalar bound states in scalar theories without derivative coupling is formulated and solved in Minkowski space. This is achieved using the perturbation theory integral representation (PTIR), which…
Mesoscopic numerical simulation has become an important tool in thermal management and energy harvesting at the micro/nano scale, where the Fourier's law failed. However, it is not easy to efficiently solve the phonon Boltzmann transport…
Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…