Related papers: Studies on optimizing potential energy functions f…
Designing objects with predefined optical properties is a task of fundamental importance for nanophotonics, and chirality is a prototypical example of such a property, with applications ranging from photochemistry to nonlinear photonics. A…
In this paper we present the parameterization of a new interionic potential for stoichiometric, reduced and doped CeO$_2$. We use a dipole-polarizable potential (DIPPIM) and optimize its parameters by fitting them to a series of DFT…
We present the general form of potentials with two given energy levels $E_{1}$, $E_{2}$ and find corresponding wave functions. These entities are expressed in terms of one function $\xi (x)$ and one parameter $\Delta E=E_{2}$-$E_{1}$. We…
A rigorous formalism for determining the electric dipole polarizability of a three-hadron bound complex in the case that the system has only one bound (ground) state has been elaborated. On its basis, by applying a model wave function that…
We theoretically show that energy absorption in crystalline silicon can be controlled by two-color femtosecond double-pulse irradiation, in which two temporally separated pulses with different wavelengths interact sequentially with the…
The Maximum Entropy Method provides a Bayesian approach to reconstruct the spectral functions from discrete points in Euclidean time. The applicability of the approach at finite temperature is probed with the thermal meson correlation…
Superintegrable systems are a class of physical systems which possess more conserved quantities than their degrees of freedom. The study of these systems has a long history and continues to attract significant international attention. This…
The maximum (or minimum) generalized eigenvalue of symmetric positive semidefinite matrices that depend on optimization variables often appears as objective or constraint functions in structural topology optimization when we consider…
We study Euclidean designs from the viewpoint of the potential energy. For a finite set in Euclidean space, We formulate a linear programming bound for the potential energy by applying harmonic analysis on a sphere. We also introduce the…
(Electric) polarization tensors describe part of the leading order term of asymptotic voltage perturbations caused by low volume fraction inhomogeneities of the electrical properties of a medium. They depend on the geometry of the support…
By extrapolating the energies of non-relativistic atoms and their ions with up to 3000 electrons within Kohn-Sham density functional theory, we find that the ionization potential remains finite and increases across a row, even as…
In this paper we maximize a class of functionals under certain constraints. We find sufficient and necessary conditions for these maximizers to exist and be unique. Moreover, we characterize them and discuss the optimality of our results by…
This work takes up the challenges of utility maximization problem when the market is indivisible and the transaction costs are included. First there is a so-called solvency region given by the minimum margin requirement in the problem…
In this paper, we introduce new properties of the relative interior calculus for nearly convex sets, functions, and set-valued mappings. These properties are important for the development of duality theory in optimization. Then we…
We outline a general formalism for treating vacuum polarization phenomena within an effective field expansion. The coupling between source charges and virtual fields is examined from the perspectives of electrostatic potentials, induced…
We introduce extremal affine surface areas in a functional setting. We show their main properties. Among them are linear invariance, isoperimetric inequalities and monotonicity properties. We establish a new duality formula, which shows…
An overview of computational methods to describe high-dimensional potential energy surfaces suitable for atomistic simulations is given. Particular emphasis is put on accuracy, computability, transferability and extensibility of the methods…
As demonstrated in many areas of real-life applications, neural networks have the capability of dealing with high dimensional data. In the fields of optimal control and dynamical systems, the same capability was studied and verified in many…
Coverage functions are an important subclass of submodular functions, finding applications in machine learning, game theory, social networks, and facility location. We study the complexity of partial function extension to coverage…
A specific class of stochastic heat engines driven cyclically by time-dependent potential, which is defined in the half-line ($0<x<+\infty$), is analysed. For such engines, most of their physical quantities can be obtained explicitly,…