相关论文: Further Computations of the He Atom Ground State
It is shown that the non-relativistic ground state energy of helium-like and lithium-like ions with static nuclei can be interpolated in full physics range of nuclear charges $Z$ with accuracy of not less than 6 decimal digits (d.d.) or 7-8…
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…
We discuss a method of solving the time dependent Schrodinger equation for atoms with two active electrons in a strong laser field, which we used in a previous paper [A. Scrinzi and B. Piraux, Phys. Rev. A 56, R13 (1997)] to calculate…
The ground and some excited states of the Li atom in external uniform magnetic fields are calculated by means of our 2D mesh Hartree-Fock method for field strengths ranging from zero up to 2.35 10^8 T. With increasing field strength the…
For heavy atoms (large atomic number $Z$) described by no-pair operators in the Furry picture we find the ground state's leading energy correction. We compare the result with (semi-)empirical values and Schwinger's prediction showing more…
The energy levels of hydrogen and helium atoms in strong magnetic fields are calculated in this study. The current work contains estimates of the binding energies of the first few low-lying states of these systems that are improvements upon…
Semiclassical calculations using the Herman-Kluk initial value treatment are performed to determine energy eigenvalues of bound and resonance states of the collinear helium atom. Both the $eZe$ configuration (where the classical motion is…
Bound states of the Hellmann potential, which is a superposition of the attractive Coulomb ($-A/r$) and the Yukawa ($Be^{-Cr}/r$) potential, are calculated by using a generalized pseudospectral method. Energy eigenvalues accurate up to…
Three simple $7-, (7+3)-, 10-$parametric trial functions for the ${\rm H}_3^+$ molecular ion are presented. Each of them provides subsequently the most accurate approximation for the Born-Oppenheimer ground state energy among…
The electronic structure of the helium atom in the magnetic field regime B=0-100a.u. is investigated, using a full configuration interaction approach which is based on a nonlinearly optimized anisotropic Gaussian basis set of one-particle…
The Hylleraas-B-splines basis set is introduced in this paper, which can be used to obtain the eigenvalues and eigenstates of helium-like system's Hamiltonian. Comparing with traditional B-splines basis, the rate of convergence of our…
The continuum of $^{10}$He nucleus is studied theoretically in a three-body $^{8}$He+$n$+$n$ model basing on the recent information concerning $^9$He spectrum [Golovkov, \textit{et al.}, Phys. Rev. C \textbf{76}, 021605(R) (2007)]. The…
Preparing the ground state of a given Hamiltonian and estimating its ground energy are important but computationally hard tasks. However, given some additional information, these problems can be solved efficiently on a quantum computer. We…
The ground and a few excited states of the beryllium atom in external uniform magnetic fields are calculated by means of our 2D mesh Hartree-Fock method for field strengths ranging from zero up to 2.35*10^9T. With changing field strength…
The problem of calculating the four--nucleon bound state properties for the case of realistic two- and three-body nuclear potentials is studied using the hyperspherical harmonic (HH) approach. A careful analysis of the convergence of…
The virial theorem is a nice property for the linear Schrodinger equation in atomic and molecular physics as it gives an elegant ratio between the kinetic and potential energies and is useful in assessing the quality of numerically computed…
A calculation of two-electron QED effects to all orders in the nuclear binding strength parameter $Z\alpha$ is presented for the ground and $n = 2$ excited states of helium-like ions. After subtracting the first terms of the $Z\alpha$…
It is shown that the ground-state eigenvalue of a semirelativistic Hamiltonian of the form H = sqrt(m^2+p^2) + V is bounded below by the Schroedinger operator m + beta p^2 + V, for suitable beta > 0. An example is discussed.
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…
This paper is concerned with the Schr\"odinger equation for atoms and ions with N=1 to 10 electrons. In the asymptotic limit of large nuclear charge $Z$, we determine explicitly the low-lying energy levels and eigenstates. The asymptotic…