Related papers: Regularization of Multi-Reference Energy Density F…

We construct and study several semilocal density functional approximations for the positive Kohn-Sham kinetic energy density. These functionals fit the kinetic energy density of the Airy gas and they can be accurate for integrated kinetic…

This paper focuses on the regularization of backward time-fractional diffusion problem on unbounded domain. This problem is well-known to be ill-posed, whence the need of a regularization method in order to recover stable approximate…

We study systematically the impact of the time-even tensor terms of the Skyrme energy density functional, i.e. terms bilinear in the spin-current tensor density, on deformation properties of closed shell nuclei corresponding to 20, 28, 40,…

Optical flow is the pattern of apparent motion of objects in a scene. The computation of optical flow is a critical component in numerous computer vision tasks such as object detection, visual object tracking, and activity recognition.…

Dimensional regularization is incompatible with the standard covariant projection methods that are used to calculate the short-distance coefficients in inclusive heavy quarkonium production and annihilation rates. A new method is developed…

Existence of the sp-d hybridization of the valence band states of the fcc Ca and Sr in the vicinity of the Fermi level indicates that their electronic wave function can have a multi-reference (MR) character. We performed a wave…

Efficiently recovering dynamic correlation in strongly correlated systems without incurring prohibitive computational costs remains a central challenge in quantum chemistry. In this Perspective, we review and benchmark methods capable of…

In recent years, mixup regularization has gained popularity as an effective way to improve the generalization performance of deep learning models by training on convex combinations of training data. While many mixup variants have been…

In developing theories of nuclear binding energy such as density-functional theory, the effort required to make a fit can be daunting due to the large number of parameters that may be in the theory and the large number of nuclei in the mass…

While ab initio many-body techniques have been able to successfully describe the properties of light and intermediate mass nuclei based on chiral effective field theory interactions, neutron-rich nuclei still remain out of reach for these…

A general approach for deriving the expression of reference (density of) distribution functions, F^0, by statistical thermodynamics and the definition of local equilibrium conditions is illustrated. This procedure may be adopted for a…

In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…

A combined density and first-order reduced-density-matrix (1RDM) functional method is proposed for the calculation of potential energy curves (PECs) of molecular multibond dissociation. Its 1RDM functional part, a pair density functional,…

The present study aims at further development of covariant energy density functionals (CEDFs) towards more accurate description of binding energies across the nuclear chart. For the first time, infinite basis corrections to binding energies…

We construct nuclear energy density functionals in terms of derivatives of densities up to sixth, next-to-next-to-next-to-leading order (N3LO). A phenomenological functional built in this way conforms to the ideas of the density matrix…

In this paper we propose a variational regularization method for denoising and inpainting of diffusion tensor magnetic resonance images. We consider these images as manifold-valued Sobolev functions, i.e. in an infinite dimensional setting,…

We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…

Energies with high-order non-submodular interactions have been shown to be very useful in vision due to their high modeling power. Optimization of such energies, however, is generally NP-hard. A naive approach that works for small problem…

Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the…

The renormalization-group approaches for classical liquids in previous works require a repulsive reference such as a hard-core one when applied to systems with short-range repulsion. The need for the reference is circumvented here by using…