Beryllium in strong magnetic fields

Abstract

We investigate the electronic structure of the beryllium atom subjected to a strong magnetic field in the regime 0 ≤ γ ≤ 10 a.u. The ground as well as many excited states of spin singlet, triplet and quintet multiplicity covering the magnetic quantum numbers |M | = 0, 1, 3, 6 for both positive and negative z−parity are discussed and analyzed. Total and one-particle ionization energies are presented. Transition wavelengths as a function of the field strengths for allowed dipole transitions are provided.

H3+molecular ion in a magnetic field: Linear parallel configuration

“…A simple, obvious generalization of (4) is used to study in 1σ g state in a magnetic field taken from [18], [19] and [20], respectively. Total energies for the ground state of the H atom and for the H − ion in a magnetic field from [21] and [22], respectively.…”

Density-functional-theory calculations of matter in strong magnetic fields. I. Atoms and molecules

“…Even under more relaxed condition, b ≫ Z 4/3 (assuming the number of electrons in each atom is N e ∼ Z) this approximation is expected to yield a reasonable total energy of the system and accurate results for the energy difference between different atoms and molecules; a quantitative evaluation of this approximation in this regime is beyond the scope of this paper (but see Refs. [30,31,32]). …”

“…[29] for Z up to 10). Some results [based on a two-dimensional (2D) mesh Hartree-Fock method] for atoms (up to Z = 10) at the field strengths B/B 0 = 0.5 − 10 4 are also available [30,31,32]. The Hartree-Fock method is approximate because electron correlations are neglected.…”

“…(31)] are solved on a grid in z. Because of symmetry we only need to consider z ≥ 0, with z = 0 at the center of the molecule.…”

Atomic ground states in strong magnetic fields: Electron configurations and energy levels

“…In another Hartree-Fock approach, Thirumalai and Heyl [13] obtained quite accurate values for the low-lying levels of helium, whereas, Becken et al [14] and Becken and Schmelcher [15][16][17] used a highly precise full configuration-interaction (CI) method to analyze a large amount of helium states and transitions in a wide range of magnetic-field strengths. Low-lying states of lithium and beryllium have been studied with high accuracy using modified freezing full-core methods [18,19], configuration-interaction methods [20,21], and methods based on an anisotropic Gaussian basis set [22][23][24].…”