相关论文: Coordinates, modes and maps for the density functi…

We prove exponential estimates for plurisubharmonic functions with respect to Monge-Ampere measures with Holder continuous potential. As an application, we obtain several stochastic properties for the equilibrium measures associated to…

Multiple orthogonal polynomials are a generalization of orthogonal polynomials in which the orthogonality is distributed among a number of orthogonality weights. They appear in random matrix theory in the form of special determinantal point…

In a previous work arXiv:physics/0611108v2, it was shown that the volume spanned by a molecular system in its conformational space can be effectively bounded by a polyhedral cone, this cone is described by means of a simple combinatorial…

We describe a polynomial time algorithm that takes as input a polygon with axis-parallel sides but irrational vertex coordinates, and outputs a set of as few rectangles as possible into which it can be dissected by axis-parallel cuts and…

A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…

We address the problem of constructing approximations based on orthogonal polynomials that preserve an arbitrary set of moments of a given function without loosing the spectral convergence property. To this aim, we compute the constrained…

For the recently developed particle-hole dispersive optical model, weak violations of unitarity due to a phenomenological description of the spreading effect are considered. Methods for unitarity restoration are proposed and implemented for…

New bispectral polynomials orthogonal on a quadratic bi-lattice are obtained from a truncation of Wilson polynomials. Recurrence relation and difference equation are provided. The recurrence coefficients can be encoded in a perturbed…

The polygonal distributions are a class of distributions that can be defined via the mixture of triangular distributions over the unit interval. The class includes the uniform and trapezoidal distributions, and is an alternative to the beta…

For orthogonal polynomials defined by compact Jacobi matrix with exponential decay of the coefficients, precise properties of orthogonality measure is determined. This allows showing uniform boundedness of partial sums of orthogonal…

The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…

We consider bivariate polynomials orthogonal on the bicircle with respect to a positive linear functional. The lexicographical and reverse lexicographical orderings are used to order the monomials. Recurrence formulas are derived between…

A feature-mapping framework for inverse reconstruction of density-based topology optimization results is proposed. Unlike SIMP, whose voxelized outputs are hard to interpret or reuse, the method represents designs with high-level geometric…

We present a formulation of quantum mechanics based on orthogonal polynomials. The wavefunction is expanded over a complete set of square integrable basis in configuration space where the expansion coefficients are orthogonal polynomials in…

A class of parametric functions formed by alternating compositions of multivariate polynomials and rectification style monomial maps is studied (the layer-wise exponents are treated as fixed hyperparameters and are not optimized). For this…

We display four approximation theorems for manifold-valued mappings. The first one approximates holomorphic embeddings on pseudoconvex domains in $\Bbb C^n$ with holomorphic embeddings with dense images. The second theorem approximates…

An effective method to obtain exact analytical solutions of equations describing the coherent dynamics of multilevel systems is presented. The method is based on the usage of orthogonal polynomials, integral transforms and their discrete…

Several local elliptic coordinates are used to build a new polyelliptic coordinate system which is orthogonal and admits the separation of variables. Such coordinate systems can give the exact solutions of some unsolved problems in quantum…

We expand the Chebyshev polynomials and some of its linear combination in linear combinations of the q-Hermite, the Rogers (q-utraspherical) and the Al-Salam--Chihara polynomials and vice versa. We use these expansions to obtain expansions…

We present an approach based on density-functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is comparable to that of total…