Related papers: Separation of a Slater determinant wave function w…
In insulators, the method of Marzari and Vanderbilt [Phys. Rev. B {\bf 56}, 12847 (1997)] can be used to generate maximally localized Wannier functions whose centers are related to the electronic polarization. In the case of layered…
We calculate the effective dielectric function for a suspension of small metallic particles immersed in a nematic liquid crystal (NLC) host. For a random suspension of such particles in the dilute limit, we calculate the effective…
Separation of variables by means of the orbit method is implemented to integrable systems on coadjoint orbits in an $\mathfrak{sl}(4)$ loop algebra. This is a development and a kind of explanation for Sklyanin's procedure of separation of…
This work considers numerical methods for the time-dependent Schr\"{o}dinger equation of incommensurate systems. By using a plane wave method for spatial discretization, the incommensurate problem is lifted to a higher dimension that…
Selected configuration interaction (SCI) methods, when complemented with a second-order perturbative correction, provide near full configuration interaction (FCI) quality energies with only a small fraction of the Slater determinants of the…
Given a set of Kohn-Sham orbitals from an insulating system, we present a simple, robust, efficient and highly parallelizable method to construct a set of, optionally orthogonal, localized basis functions for the associated subspace. Our…
We developed a new and computationally simple local block-wise self attention based normal structures segmentation approach applied to head and neck computed tomography (CT) images. Our method uses the insight that normal organs exhibit…
We propose a transform for signals defined on the sphere that reveals their localized directional content in the spatio-spectral domain when used in conjunction with an asymmetric window function. We call this transform the directional…
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…
We present a method for obtaining well-localized Wannier-like functions (WFs) for energy bands that are attached to or mixed with other bands. The present scheme removes the limitation of the usual maximally-localized WFs method (N. Marzari…
Wavelets are closely related to the Schr\"odinger's wave functions and the interpretation of Born. Similarly to the appearance of atomic orbital, it is proposed to combine anti-symmetric wavelets into orbital wavelets. The proposed approach…
Using the group theoretic approach based on the set of digits, we first investigate a finite collection of functions in $\ell^2 ({\mathbb{Z}}^2_N)$ that satisfies some localization properties in a region of the time-frequency plane. The…
We propose a method to construct localized single particle wave functions using imaginary time projection and thereby determine lattice Hamiltonian parameters. We apply the method to a specific disordered potential generated by an optical…
A method for constructing semianalytical strongly correlated wave functions for single and molecular quantum dots is presented. It employs a two-step approach of symmetry breaking at the Hartree-Fock level and of subsequent restoration of…
In some pattern-forming systems, for some parameter values, patterns form with two wavelengths, while for other parameter values, there is only one wavelength. The transition between these can be organised by a codimension-three point at…
Synchronization of coupled oscillators is observed at multiple levels of neural systems, and has been shown to play an important function in visual perception. We propose a computing system based on locally coupled oscillator networks for…
The work proposes an image segmentation algorithm that isolates slender regions in three-dimensional microstructures. Characterizing slender regions in material microstructures is an extremely important aspect in material science because…
We reduce Dirac's spinor formalism for a spin 1/2 particle to a complex wavefunction description in curved spacetimes. We consider a localized fermionic particle in curved spacetimes and perform an expansion in terms of the acceleration and…
Wannier functions have become a powerful tool in the electronic structure calculations of extended systems. The generalized Pipek-Mezey Wannier functions exhibit appealing characteristics (e.g., reaching an optimal localization and the…
The definition for the Slater-type orbitals is generalized. Transformation between an orthonormal basis function and the Slater-type orbital with non-integer principal quantum numbers is investigated. Analytical expressions for the linear…