Related papers: Explicitly correlated Helium wave function and hyp…
Accurate local Kohn-Sham potentials have been constructed for the ground $1s^2 ^1S$ state and, in particular, for the lowest triplet $1s2s ^{3}S$ state of the helium atom, using electron densities from many-body calculations and the…
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 Hartree-Fock-Rothaan equations are solved for He-like ions using the iterative self-consistent method. New complete and orthonormal sets of exponential-type orbitals are employed as the basis. These orbitals satisfy the orthonormality…
A many-body wave function is approximated by a product of two functions: the wave function $\phi$ depending on the particle coordinates and the function $\chi$ depending only on the value of interparticle interaction potential. For the…
We present exact energy spectrum and eigenfunctions of the one-dimensional hydrogen atom in the presence of the minimal length uncertainty. By requiring the self-adjointness property of the Hamiltonian, we completely determine the…
A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…
A hyperbolic singularity in the wave-function of $s$-wave interacting atoms is the root problem for any accurate numerical simulation. Here we apply the transcorrelated method, whereby the wave-function singularity is explicitly described…
We write a computer program that uses the recursion relation to calculate wave function in the harmonic-oscillator potential for specified values of E/hv (with its deviation 0.001) containing only even numbers of v (0,2,4,...). In this…
The hydrogen molecules $H_2$ and $(H_2)_2$ are analyzed with electronic correlations taken into account between the $1s$ electrons exactly. The optimal single-particle Slater orbitals are evaluated in the correlated state of $H_2$ by…
The ground state energy of a system of electrons and nuclei is proven to be a variational functional of the conditional electronic density $n_R(\mathbf{r})$, the nuclear wavefunction $\chi(R)$ and an induced vector potential $A_{\mu}(R)$…
Using the method of the "exact discretization" of the Schr\"odinger equation, we propose a particular discretized version of the N=2 Supersymmetric Quantum Mechanics. After defining the corresponding shape invariance condition, we show that…
We present an investigation on the resonances of a doubly excited helium atom in a strong magnetic field covering the regime B = 0-100 a.u. A full-interaction approach which is based on an anisotropic Gaussian basis set of one-particle…
We calculate the photoionization with excitation-to photoionization ratios for atomic helium and heliumlike ions at intermediate values of the photon energies. The final state interactions between the electrons are included in the lowest…
The essence of atomic structure theory, quantum chemistry, and computational materials science is solving the multi-electron stationary Schr\"odinger equation. The Quantum Monte Carlo-based neural network wave function method has surpassed…
A new mathematical model for the description of three electron quantum dots in 2D space is created, and ground states of this system in external magnetic field is investigated. The Schrodinger equation for three two-dimensional electrons is…
We report an exhaustive study of the performance of different variants of Green function methods for the spherium model in which two electrons are confined to the surface of a sphere and interact via a genuine long-range Coulomb operator.…
We report on a direct method to measure the internuclear potential energy curve of diatomic systems. A COLTRIMS reaction microscope was used to measure the squares of the vibrational wave functions of H$_{2}$, He$_{2}$, Ne$_{2}$, and…
An exact analytical solution for the Bohr Hamiltonian with an energy dependent Coulomb-like $\gamma$-unstable potential is presented. Due to the linear energy dependence of the potential's coupling constant, the corresponding spectrum in…
We present a new measurement of the s-wave scattering length a of spin-polarized helium atoms in the 2^3S_1 metastable state. Using two-photon photoassociation spectroscopy and dark resonances we measure the energy E_{v=14}= -91.35 +/- 0.06…
This article is a continuation of our previous work (Phys. Rev. A 88, 032511 (2013)). The prefactors for the partial-wave expansion of the helium atom are derived. Due to series of cancellations, the partial-wave increments of the energy…