相关论文: Information theoretic measures within Schr\"odinge…

We study the asymptotic behavior of large data solutions in the energy space $H := H^1(\R^d)$ in very high dimension $d \geq 11$ to defocusing Schr\"odinger equations $i u_t + \Delta u = |u|^{p-1} u + Vu$ in $\R^d$, where $V \in…

In this work, a scattering process of quantum particles through a potential barrier is considered. The statistical complexity and the Fisher-Shannon information are calculated for this problem. The behaviour of these entropy-information…

Single-particle resonance parameters and wave functions in spherical and deformed nuclei are determined through analytic continuation in the potential strength. In this method, the analyticity of the eigenvalues and eigenfunctions of the…

Ground and excited states of a confined negative Hydrogen ion has been pursued under Kohn-Sham density functional approach by invoking a physically motivated work-function-based exchange potential. The exchange-only results are of near…

The molecular Schr\"odinger equation is rewritten in terms of non-unitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ensemble of generally defined electronic (or nuclear)…

We present a new algebraic method for solving the inverse problem of quantum scattering theory based on the Marchenko theory. We applied a triangular wave set for the Marchenko equation kernel expansion in a separable form. The separable…

An ion and a polar molecule interact by an anisotropic ion-dipole potential scaling as $- \alpha \cos (\theta)/r^2$ at large distances. Due to its long-range character, it modifies the properties of angular wave functions, which are no…

We study spectral properties of Schr\"odinger operators on $\RR^d$. The electromagnetic potential is assumed to be determined locally by a colouring of the lattice points in $\ZZ^d$, with the property that frequencies of finite patterns are…

An equation proposed by Levy, Perdew and Sahni in 1984 [PRA 30, 2745 (1984)] is an orbital--free formulation of density functional theory. However, this equation describes a bosonic system. Here, we analyze on a very fundamental level, how…

We extend our previous results of solving the inverse problem of quantum scattering theory (Marchenko theory, fixed-$l$ inversion). In particular, we apply an isosceles triangular-pulse function set for the Marchenko equation input kernel…

For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…

Quantifying materials' dynamical responses to external electromagnetic fields is central to understanding their physical properties. Here we present an implementation of the density functional perturbation theory for the computation of…

We give the upper and the lower estimates of heat kernels for Schr\"odinger operators $H=-\Delta+V$, with nonnegative and locally bounded potentials $V$ in $\mathbb{R}^d$, $d \geq 1$. We observe a factorization: the contribution of the…

We obtain new results about the high-energy distribution of resonances for the one-dimensional Schr\"odinger operator. Our primary result is an upper bound on the density of resonances above any logarithmic curve in terms of the singular…

This paper presents analytical solutions for eigenvalues and eigenfunctions of the Schr\"odinger equation in higher dimensions, incorporating the Dunkl operator. Two fundamental quantum mechanical problems are examined in their exact forms:…

Fractional calculus has become an essential framework in geophysics, optics, and biological systems to capture long-range correlations and anomalous transport. In this article, we extend fractional calculus to explore a particle in a…

The scaling properties of various composite information-theoretic measures (Shannon and R\'enyi entropy sums, Fisher and Onicescu information products, Tsallis entropy ratio, Fisher-Shannon product and shape complexity) are studied in…

Starting from the semi-classical spectrum of Schr\"odinger operators $-h^2\Delta+V$ (on $\mathbb{R}^n$ or on a Riemannian manifold) it is possible to detect critical levels of the potential $V$. Via micro-local methods one can express…

In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the total energy with respect to the occupation numbers at half…

Shannon entropy ($S$), Fisher information ($I$) and a measure equivalent to Fisher-Shannon complexity $(C_{IS})$ of a ro-vibrational state of diatomic molecules (O$_2$, O$_2^+$, NO, NO$^+$) with generalized Kratzer potential is analyzed.…