Related papers: Role of the action function in defining electronic…
We analyze the matter wave transmission above a step potential within the framework of the cubic-nonlinear Schr\"odinger equation. We present a comprehensive analysis of the corresponding stationary problem based on an exact second-order…
The coordinate asymptotics of the wave function for the problem of scattering of three particles with Coulomb interaction is constructed. Representation of hyperspherical functions is used to reduce the Schr\"odinger equation to a system of…
The strong-interaction limit of the Hohenberg-Kohn functional defines a multimarginal optimal transport problem with Coulomb cost. From physical arguments, the solution of this limit is expected to yield strictly-correlated particle…
Progress toward the solution of the strongly correlated electron problem has been stymied by the exponential complexity of the wave function. Previous work established an exact two-body exponential product expansion for the ground-state…
The limit relations for the partial derivatives of the two-electron atomic wave functions at the two-particle coalescence lines have been obtained numerically using accurate CFHHM wave functions. The asymptotic solutions of the proper…
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…
Schroedinger's wave function shows many aspects of a state of incomplete knowledge or information ("bit"): (1) it is usually defined on a space of classical configurations, (2) its generic entanglement is, therefore, analogous to…
We investigate the meaning of the wave function by analyzing the mass and charge density distributions of a quantum system. According to protective measurement, a charged quantum system has mass and charge density distributing in space,…
The wave-structure of moving electrons is analyzed on a fundamental level by employing a modified de Broglie relation. Formalizing the wave-function $\psi$ in real notation yields internal energy components due to mass oscillations. The…
The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schr\"{o}dinger equations with an effective potential for the single-particle wave functions. The solution of these equations…
We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…
A simple analytic expression of the three-body wave function describing the system $(\alpha\alpha n)$ in the ground state $\frac{3}{2}^-$ of ${}^9\mathrm{Be}$ is obtained. In doing this, it is assumed that the $\alpha$ particles interact…
Quantum mechanical scalar particle with polarizability is considered in the presence of the Coulomb field. Separation of variables is performed with the use of Wigner $D$-functions, the radial system of 15 equations is reduced to a single…
We outline a rigorous method which can be used to solve the many-body Schroedinger equation for a Coulomb interacting electronic system in an external classical magnetic field as well as a quantized electromagnetic field. Effects of the…
EPW is an open-source software for $\textit{ab initio}$ calculations of electron-phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally-localized Wannier functions to…
Let $L$ be a linear, closed, densely defined in a Hilbert space operator, not necessarily selfadjoint. Consider the corresponding wave equations &(1) \quad \ddot{w}+ Lw=0, \quad w(0)=0,\quad \dot{w}(0)=f, \quad \dot{w}=\frac{dw}{dt}, \quad…
We present numerically exact solutions to the full-dimensional Schrodinger Equation for the few-electron gas (few-EG) model of electronic structure theory. Our core methodology uses a Sum-of-Products (SOP) representation of singular…
The electron-phonon interaction plays a crucial role in many fields of physics and chemistry. Nevertheless, its actual calculation by means of modern many-body perturbation theory is weakened by the use of model Hamiltonians that are based…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
We introduce the notion of electronic enthalpy for first-principles structural and dynamical calculations of finite systems under pressure. An external pressure field is allowed to act directly on the electronic structure of the system…