Related papers: Sharp regularity results for many-electron wave fu…
It is shown for two electron atoms that ground-state wavefunctions of the form \begin{equation} \Psi(\vec{r_{1}}, \vec{r_{2}})=\phi(\vec{r_{1}})\phi(\vec{r_{2}})(\cosh ar_{1}+\cosh ar_{2})(1+0.5 r_{12}e^{-b r_{12}}) \end{equation} where…
Position and momentum representations of a wavefunction $\psi(x)$ and $\phi(p)$, respectively are physically equivalent yet mathematically in a given case one may be easier or more transparent than the other. This disparity may be so much…
The coordinate-space wave function $\psi(x)$ of quasi-one-dimensional atoms is defined in the $x\geq 0$ region only. This poses a typical problem to write a physically acceptable momentum-space wave function $\phi(p)$ from the Fourier…
Let $\psi$ and $F$ be positive definite forms with integral coefficients of equal degree. Using the circle method, we establish an asymptotic formula for the number of identical representations of $\psi$ by $F$, provided $\psi$ is…
This paper is devoted to the study of the second-order variational analysis of spectral functions. It is well-known that spectral functions can be expressed as a composite function of symmetric functions and eigenvalue functions. We…
We investigate the analytic structure of solutions of non-relativistic Schr"odinger equations describing Coulombic many-particle systems. We prove the following: Let psi(x) with x=(x_1,...,x_N) in R^{3N} denote an N-electron wavefunction of…
Recently there has been a renewed interest in the chemical physics literature of factorization of the position representation eigenfunctions \{$\Phi$\} of the molecular Schr\"odinger equation as originally proposed by Hunter in the 1970s.…
We consider Orlicz--Laplace equation $-div(\frac{\varphi'(|\nabla u|)}{|\nabla u|}\nabla u)=f$ where $\varphi$ is an Orlicz function and either $f=0$ or $f\in L^\infty$. We prove local second order regularity results for the weak solutions…
Let $f$ be a $r\times m$-matrix of holomorphic functions that is generically surjective. We provide explicit integral representation of holomorphic $\psi$ such that $\phi=f\psi$, provided that $\phi$ is holomorphic and annihilates a certain…
Second-order variational properties have been shown to play important theoretical and numerical roles for different classes of optimization problems. Among such properties, twice epi-differentiability has a special place because of its…
With a special `Ansatz' we analyse the regularity properties of atomic electron wavefunctions and electron densities. In particular we prove an a priori estimate, $\sup_{y\in B(x,R)}|\nabla\psi(y)| \leq C(R) \sup_{y\in B(x,2R)}|\psi(y)|$…
Consider a bound state (an eigenfunction) $\psi$ of an atom with $N$ electrons. We study the spectra of the one-particle density matrix $\gamma$ and of the one-particle kinetic energy density matrix $\tau$ associated with $\psi$. The paper…
The interpretation proposed in quant-ph/9812011 is extended to the general case of a non-relativistic particle moving in an arbitrary external potential. It is shown that, even in this general case, "particle" solutions exist which do not…
The paper is devoted to the study of the twice epi-differentiablity of extended-real-valued functions, with an emphasis on functions satisfying a certain composite representation. This will be conducted under the parabolic regularity, a…
We develop a systematic approach to determine the large |p| behavior of the momentum-space wavefunction, phi(p), of a one-dimensional quantum system for wich the position-space wavefunction, psi(x), has a discontinuous derivative at any…
An analysis of the analytical solution of the Schr\"{o}dinger equation (which is a second order differential equation) for $H_2^+$ shows that the second linear independent solution of this equation is a square integrable function and…
The description of the electron wavefunctions in atoms is generalized to the fractional Fourier series. This method introduces a continuous and infinite number of chirp basis sets with linear variation of the frequency to expand the…
We give stability estimates in the Cauchy problem for general partial differential equation of the elliptic type similar to the Helmholtz equation. We do not impose any (pseudo)convexity assumptions on the domain or the operator. These…
We establish new results concerning the existence of extremisers for a broad class of smoothing estimates of the form $\|\psi(|\nabla|) \exp(it\phi(|\nabla|)f \|_{L^2(w)} \leq C\|f\|_{L^2}$, where the weight $w$ is radial and depends only…
A new approach to the geometrization of the electron theory is proposed. The particle wave function is represented by a geometric entity, i.e., Clifford number, with the translation rules possessing the structure of Dirac equation for any…