Related papers: An accurate few-parameter ground state wave functi…
A basis set expansion is performed to find the eigenvalues and wave functions for an electron on a toroidal surface $T^2$ subject to a constant magnetic field in an arbitrary direction. The evolution of several low-lying states as a…
An exploratory study of two-particle wave function is carried out with a four dimensional simple model. The wave functions not only for two-particle ground and first excited states but also for an unstable state are calculated from three-…
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…
Several methodologies are developed for large-scale atomistic simulations with fully quantum mechanical description of electron systems. The important methodological concepts are (i) generalized Wannier state, (ii) Krylov subspace and (iii)…
We critically examine the current status of theoretical calculations of the energies, the fine structure, and the isotope shift of the lowest-lying states of helium, searching for unresolved discrepancies with experiments. Calculations are…
Precise predictions of atomic energy levels require the use of QED, especially in highly-charged ions, where the inner electrons have relativistic velocities. We present an overview of the two-time Green's function method; this method…
We extend the covariance-matrix description of atom--light quantum interfaces, originally developed for real and effective spin-1/2 atoms, to include "spin alignment" degrees of freedom. This allows accurate modeling of optically-probed…
We develop a variational formalism in order to study the structure of low energy spectra of frustrated quantum spin systems. It is first applied to trial wavefunctions of ladders with one spin-1/2 on each site. We determine energy minima of…
The form of the wave function at three-electron coalescence points is examined for several spin states using an alternative method to the usual Fock expansion. We find that, in two- and three-dimensional systems, the non-analytical nature…
We investigate the resonance-enhanced few-photon ionization of atomic lithium by linearly polarized light whose frequency is tuned near the 2s-2p transition. Considering the direction of light polarization orthogonal to the quantization…
Beyond ground state energy estimation, quantum phase estimation (QPE) applied to many-electron systems has the potential to output an approximation of the ground state, enabling in a second step an evaluation of observables other than the…
We consider $N_a$ three-level atoms (or systems) interacting with a one-mode electromagnetic field in the dipolar and rotating wave approximations. The order of the quantum phase transitions is determined explicitly for each of the…
A general procedure for the optimization of atomic density-fitting basis functions is designed with the balance between accuracy and numerical stability in mind. Given one-electron wavefunctions and energies, weights are assigned to the…
Magnetic moments of bound-electron systems are a sensitive tool for testing fundamental interactions. $g$ factors of lithium-like ions have been rigorously studied in recent years, enabling insights into the relativistic inter-electronic…
Atomic Parity Violation provides the rare opportunity of a low energy window into possible new fundamental processes at very high mass scales normally investigated at large high energy accelerators. Precise measurements on atomic systems…
The practical usefulness of Relativistic Schr\"odinger Theory (RST) is tested by calculating approximately the energy difference between the excited singlet state $1s2s {}^1S_0$ and the ground state $1s^2 {}^1S_0$ of the helium-like ions…
Lithium and lithium-like elements look like hydrogen atoms if their two electrons and the nucleus are considered a core around which a single electron is orbiting. The energy and radii expressions for hydrogen atoms can be used for lithium…
The two-electron problem for the helium-like atom/ions in $S$-state is considered. The basis containing the integer powers of $\ln r$, where $r$ is a radial variable of the Fock expansion, is studied. In this basis, the analytic expressions…
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.…
A system of two charged particles in a harmonic trap with additional magnetic field is considered. The problem is reduced to a single-particle one in relative coordinates. The ground- and lowest excited-state energies and wave functions are…