相关论文: On highly accurate computations of the Coulomb two…
Accurate mass-interpolation and mass-asymptotic formulas are derived for one- and two-center three-body ions with unit charges. The derived formulas are applied to predict accurate numerical values of the total energies of the ground…
The total energies of a large number of diatomic (or two-center) one-electron $A^{+} B^{+} e^{-}$ ions with unit electrical charges are determined numerically to high accuracy. Based on these results we derive some accurate…
We present a precise fully relativistic numerical solution of the two-center Coulomb problem. The special case of unit nuclear charges is relevant for the accurate description of the ${\rm H}_2^+$ molecular ion and its isotopologues,…
The $1/Z$-expansion for the Coulomb system of infinitely massive center of charge Z and two electrons is discussed. Numerical deficiency in Baker et al, {\em Phys. Rev. \bf A41}, 1247 (1990) is indicated which continue to raise doubts in…
The universal variational expansion for the non-relativistic three-body systems is explicitly constructed. Three-body universal expansion can be used to perform highly accurate numerical computations of the bound state spectra in arbitrary…
The second (unphysical) critical charge in the 3-body quantum Coulomb system of a nucleus of positive charge $Z$ and mass $m_p$, and two electrons, predicted by F~Stillinger has been calculated to be equal to $Z_{B}^{\infty}\ =\ 0.904854$…
In this paper we take up the quantal two-centre problem where the Coulomb centres have arbitrary positive charges. In analogy with the symmetric case, treated in the second paper of this series of papers, we use the knowledge on the…
The $1/Z$-expansion for the ground state energy of the Coulomb system of an infinitely massive center of charge Z and two electrons (two electron ionic sequence) is studied. A critical analysis of the $1/Z$ coefficients presented in Baker…
We study the behaviour of total-energy supercell calculations for dipolar molecules and charged clusters. Using a cutoff Coulomb interaction within the framework of a plane-wave basis set formalism, with all other aspects of the method…
The analysis of correlation energy of the simplest first approximation of a variational method for the intrashell states of two-electron atoms is the purpose of the present work. This method allows to divide energy of atom on Coulomb and…
The rigorous two-center approach based on the dual-kinetically balanced finite-basis-set expansion is applied to one-electron, heteronuclear diatomic Bi-Au, U-Pb, and Cf-U quasimolecules. The obtained $1\sigma$ ground-state energies are…
A simple locally accurate uniform approximation for the nodeless wavefunction is constructed for a {\it neutral} system of two Coulomb charges of different masses $(-q,m_1)$ and $(q,m_2)$ at rest in a constant uniform magnetic field for the…
The moving neutral system of two Coulomb charges on a plane subject to a constant magnetic field $B$ perpendicular to the plane is considered. It is shown that the composite system of finite total mass is bound for any center-of-mass…
A novel Gaussian-Sinc mixed basis set for the calculation of the one-electron electronic structure within a uniform magnetic field in three dimensions is presented. The one-electron system is used to demonstrate the utility of this new…
The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules.…
We study the three-body Coulomb problem in two dimensions and show how to calculate very accurately its quantum properties. The use of a convenient set of coordinates makes it possible to write the Schr\"{o}dinger equation only using…
By the use of the variational method with exponential trial functions the upper and lower bounds of energy are calculated for a number of non-relativistic three-body Coulomb and nuclear systems. The formulas for calculation of upper and…
A Hartree-Fock and Hartree-Fock-Bogoliubov study of a few body system of spatially separated charge carriers was carried out. Using these variational states, we compute an approximation to the correlation energy of a finite system of…
Easy physics-inspired approximations of the total and binding energies for the ${\rm H}$ atom and for the molecular ions $${\rm H}_2^{(+)} ({\rm ppe}), {\rm H}_3^{(2+)} ({\rm pppe}), ({\rm HeH})^{++} (\al {\rm p e}), {\rm He}_2^{(3+)} (\al…
In a quasiclassical framework, we formulate the double energy differential cross sections for the Coulomb four-body problem. We present results for the triple photoionization from the Li ground state at 220.5, 115, 50 and 3.8 eV excess…