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In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…

Materials Science · Physics 2020-04-15 Igor Ying Zhang , Andreas Grüneis

In the present article, the volume of the hypersphere in n-dimensional euclidean space is recalculated in a rather original way by using the theory of generalized functions (tempered distributions). The calculation is performed by applying…

Functional Analysis · Mathematics 2021-07-30 Cyril Belardinelli

We comment on recent results in the field of information based complexity, which state (in a number of different settings), that approximation of infinitely differentiable functions is intractable and suffers from the curse of…

Numerical Analysis · Mathematics 2013-04-04 Jan Vybiral

This article presents a high-order accurate numerical method for the evaluation of singular volume integral operators, with attention focused on operators associated with the Poisson and Helmholtz equations in two dimensions. Following the…

Numerical Analysis · Mathematics 2024-05-24 Thomas G. Anderson , Marc Bonnet , Luiz M. Faria , Carlos Pérez-Arancibia

We study the properties of the maximal volume $k$-dimensional sections of the $n$-dimensional cube $[-1,1]^n$. We obtain a first order necessary condition for a $k$-dimensional subspace to be a local maximizer of the volume of such…

Metric Geometry · Mathematics 2020-04-21 Grigory Ivanov , Igor Tsiutsiurupa

Some difficulties, both numerical and conceptual, of the method to compute one dimensional wave functions by numerically integrating the quantum Hamilton-Jacobi equation, presented in the paper mentioned in the title, are analyzed. The…

Quantum Physics · Physics 2014-04-04 Mario Fusco Girard

Quantum computation is based on implementing selected unitary transformations which represent algorithms. A generalized optimal control theory is used to find the driving field that generates a prespecified unitary transformation. The…

Quantum Physics · Physics 2009-11-07 Jose P. Palao , Ronnie Kosloff

We analyse the maximum achievable rate of sustained computation for a given convex region of three dimensional space subject to geometric constraints on power delivery and heat dissipation. We find a universal upper bound across both…

Statistical Mechanics · Physics 2021-12-02 Hannah Earley

Previous studies have used numerical methods to optimize the hyperpolarizability of a one-dimensional quantum system. These studies were used to suggest properties of one-dimensional organic molecules, such as the degree of modulation of…

Optics · Physics 2015-05-18 Urszula B. Szafruga , Mark G. Kuzyk , David S. Watkins

We experimentally study the fundamental problem of computing the volume of a convex polytope given as an intersection of linear inequalities. We implement and evaluate practical randomized algorithms for accurately approximating the…

Computational Geometry · Computer Science 2021-04-26 Ioannis Z. Emiris , Vissarion Fisikopoulos

The Sutherland approximation to the van der Waals forces is applied to the derivation of a self-consistent Vlasov-type field in a liquid filling a half space, bordering vacuum. The ensuing Vlasov equation is then derived, and solved to…

Soft Condensed Matter · Physics 2015-09-02 V. Molinari , B. D. Ganapol , D. Mostacci

Fundamental limits on communication rates over quantum channels are given by mathematical expressions involving entropic formulas. Often, it is unclear if these expressions are computable. This thesis describes contributions to the study of…

Quantum Physics · Physics 2023-04-28 Mohammad A. Alhejji

The inverse of an $\infty \times \infty$ symmetric band matrix can be constructed in terms of a matrix continued fraction. For Hamiltonians with Coulomb plus polynomial potentials, this results in an exact and analytic Green's operator…

Nuclear Theory · Physics 2013-10-30 N. C. Brown , S. E. Grefe , Z. Papp

This paper studies the probabilistic function approximation problem over reproducing kernel Hilbert spaces. We show the existence and uniqueness of the optimizer under mild assumptions. Furthermore, we generalize the celebrated representer…

Functional Analysis · Mathematics 2025-07-16 Dongwei Chen , Kai-Hsiang Wang

We find asymptotically optimal methods of recovery of the integration operator given values of the function at a finite number of points for a class of multivariate functions defined on a bounded star domain that have bounded in $L_p$ norm…

Functional Analysis · Mathematics 2024-04-02 Oleg Kovalenko

We present two techniques novel in numerical methods. The first technique compiles the domain of the numerical methods as a discretized volume. Congruent elements are glued together to compile the domain over which the solution of a…

Mathematical Physics · Physics 2007-10-30 Miklós Antal , Mihály Makai

We consider approximation by functions with finite support and characterize its approximation spaces in terms of interpolation spaces and Lorentz spaces.

Classical Analysis and ODEs · Mathematics 2017-07-05 Bo Ling , Yongping Liu

From a scalar field defined at the corner of a cube, an isosurface can be extracted using the Marching Cube algorithm. The isosurface separates the cell into two or more partial cells. A similar situation arises when an material interface…

Numerical Analysis · Mathematics 2013-08-05 Shuqiang Wang

We present a particle method for estimating the curvature of interfaces in volume-of-fluid simulations of multiphase flows. The method is well suited for under-resolved interfaces, and it is shown to be more accurate than the parabolic…

Computational Physics · Physics 2020-01-23 Petr Karnakov , Sergey Litvinov , Petros Koumoutsakos

We give a very simple approach to the computation of tube volumes of self-similar sprays using a functional equation satisfied by them.

Metric Geometry · Mathematics 2014-01-13 Ali Deniz , Sahin Kocak , Yunus Ozdemir , A. Ersin Ureyen