Related papers: Sturmian bases for two-electron systems in hypersp…
We define Sturmian basis functions for the harmonic oscillator and investigate whether recent insights into Sturmians for Coulomb-like potentials can be extended to this important potential. We also treat many body problems such as coupling…
The first discussion of basis sets consisting of exponentially decaying Coulomb Sturmian functions for modelling electronic structures is presented. The proposed basis set construction selects Coulomb Sturmian functions using separate upper…
A new type of basis functions is proposed to describe a two-electron continuum which arises as a final state in electron-impact ionization and double photoionization of atomic systems. We name these functions, which are calculated in terms…
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.…
The hyperspherical harmonic basis is used to describe bound states in an $A$--body system. The approach presented here is based on the representation of the potential energy in terms of hyperspherical harmonic functions. Using this…
A simple method of variational calculations of the electronic structure of a two-electron atom/ion, primarily near the nucleus, is proposed. The method as a whole consists of a standard solution of a generalized matrix eigenvalue equation,…
Wave functions of a new functional kind have been proposed for Helium-like atoms in this work . These functions explicitly depend on interelectronic and hyperspherical coordinates. The best ground state energy for the Helium atom $…
We investigate the possibility of using a transcorrelated Hamiltonian to describe electron correlation. Amethod to obtain transcorrelatedwavefunctionswas developed based on the mathematical framework of the bi-variational principle. This…
In this paper we derive general expressions for few-electron spectral functions of the one-dimensional Hubbard model for values of the excitation energy in the vicinity of the $M^{th}$ upper-Hubbard band lower limit. Here $M=1,2,...$ is the…
Model Hamiltonians with long-range interaction yield energies that are corrected taking into account the universal behavior of the electron-electron interaction at short range. Although the intention of the paper is to explore the…
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…
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…
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…
The hyperspherical harmonics (HH) provide a complete basis for the expansion of atomic wave functions, but even for two particles the number of harmonics for a given order is not trivial and, as the number of electrons increases, this…
A fully analytical approximation for the observable characteristics of many-electron atoms is developed via a complete and orthonormal hydrogen-like basis with a single-effective charge parameter for all electrons of a given atom. The basis…
An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…
The nonrelativistic Hamiltonians of scalar, spinor and vector particles in the electromagnetic field are studied by applying the Douglas-Kroll-Hess approach. Their relativistic Hamiltonians are expanded on the potential, and the…
The ground state of the Dirac one-electron atom, placed in a weak, static electric field of definite $2^{L}$-polarity, is studied within the framework of the first-order perturbation theory. The Sturmian expansion of the generalized…
The Hyperspherical Harmonics basis, without a previous symmetrization step, is used to calculate binding energies of the nuclear A=6 systems using a version of the Volkov potential acting only on s-wave. The aim of this work is to…
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…