Related papers: Finite-size estimates of Kirkwood-Buff and similar…
Computation of the excess entropy from the second-order density expansion of the entropy holds strictly for infinite systems in the limit of small densities. For the reliable and efficient computation of excess entropy, it is important to…
Kirkwood-Buff (KB) integrals are notoriously difficult to converge from a canonical simulation because they require estimating the grand-canonical radial distribution. The same essential difficulty is encountered when attempting to estimate…
A Radial Basis Function Generated Finite-Differences (RBF-FD) inspired technique for evaluating definite integrals over bounded volumes that have smooth boundaries in three dimensions is described. A key aspect of this approach is that it…
A Radial Basis Function Generated Finite-Differences (RBF-FD) inspired technique for evaluating definite integrals over the volume of the ball in three dimensions is described. Such methods are necessary in many areas of Applied…
Kirkwood-Buff integrals (KBI) connect the microscopic structure and thermodynamic properties of liquid solutions. KBI are defined in the grand canonical ensemble and evaluated assuming the thermodynamic limit (TL). In order to reconcile…
The Error Function \begin{eqnarray} V(x) & \equiv & \sqrt{\pi} e^{x^2} [1 - \hbox{erf}(x)] \\ & = & \int_0^\infty \frac{ e^{-u} }{\sqrt{x^2 + u}} du = 2 e^{x^2}\int_x^\infty e^{-t^2} dt \nonumber \end{eqnarray} arises in many contexts, from…
Analytic relations are derived for finite volume integrals over the radial distribution function of a fluid, so-called Kirkwood-Buff integrals. Closed form expressions are obtained for cubes and cuboids, the system shapes commonly employed…
We consider an integral transform given by $T_{\nu} f(s) := \pi \int_0^\infty rs J_{\nu}(r s)^2 f(r) \, dr$, where $J_{\nu}$ denotes the Bessel function of the first kind of order $\nu$. As shown by Walther (2002,…
Asymptotic eigenvalues and eigenfunctions for the Orr-Sommerfeld equation in two and three dimensional incompressible flows on an infinite domain and on a semi-infinite domain are obtained. Two configurations are considered, one in which a…
The complete elliptic integral of the first and second kind, K(k) and E(k), appear in a multitude of physics and engineering applications. Because there is no known closed-form, the exact values have to be computed numerically. Here,…
We establish $ L^{\infty} $ and $ L^2 $ error bounds for functions of many variables that are approximated by linear combinations of ReLU (rectified linear unit) and squared ReLU ridge functions with $ \ell^1 $ and $ \ell^0 $ controls on…
Volume integrals over the radial pair-distribution function, so-called Kirkwood-Buff integrals (KBI) play a central role in the theory of solutions, by linking structural with thermodynamic information. The simplest example is the…
We consider functions on the $d$-dimensional unit cube whose partial derivatives up to order $r$ are bounded by one. It is known that the minimal number of function values that is needed to approximate the integral of such functions up to…
The Kirchhoff integral is a fundamental integral in scattering theory, appearing in both the Kirchhoff approximation, as well as the small slope approximation. In this work, a functional Taylor series approximation to…
We develop a new method to calculate finite size corrections for form factors in two-dimensional integrable quantum field theories. We extract these corrections from the excited state expectation value of bilocal operators in the limit when…
Let $\K$ be the complete elliptic integral of the first kind. In this paper, the authors prove that the function $r\mapsto r^{-2}\{[\log(2\K(r)/\pi)]/\log((\arth r)/r)-3/4\}$ is strictly increasing from $(0,1)$ onto $(1/320,1/4)$, so that…
We investigate the numerical approximation of integrals over $\mathbb{R}^d$ equipped with the standard Gaussian measure $\gamma$ for integrands belonging to the Gaussian-weighted Sobolev spaces $W^\alpha_p(\mathbb{R}^d, \gamma)$ of mixed…
The shape function f(k_+) describes Fermi motion effects in inclusive semi-leptonic decays such as B -> X_u+e+nu near the end-point of the lepton spectrum. We compute the leading one-loop corrections to the shape function f(k_+) in the…
Avikainen showed that, for any $p,q \in [1,\infty)$, and any function $f$ of bounded variation in $\mathbb{R}$, it holds that $\mathbb{E}[|f(X)-f(\widehat{X})|^{q}] \leq C(p,q) \mathbb{E}[|X-\widehat{X}|^{p}]^{\frac{1}{p+1}}$, where $X$ is…
Statistical applications often involve the calculation of intractable multidimensional integrals. The Laplace formula is widely used to approximate such integrals. However, in high-dimensional or small sample size problems, the shape of the…