Lithium in strong magnetic fields

The electronic structure of the lithium atom in a strong magnetic field $0⩽\gamma ⩽10$ is investigated. Our computational approach is a full configuration interaction method based on a set of anisotropic Gaussian orbitals that is nonlinearly optimized for each field strength. Accurate results for the total energies and one-electron ionization energies for the ground and several excited states for each of the symmetries ${}^{2}0^{+}$, ${}^2(-1)^{+}$, ${}^4(-1)^{+}$, ${}^4(-1)^{-}$, ${}^2(-2)^{+}$, ${}^4(-2)^{+}$, and ${}^4(-3)^{+}$ are presented. The behavior of these energies as a function of the field strength is discussed and classified. Transition wavelengths for linear and circular polarized transitions are presented as well.

Figure 1

Total energies $E_{\mathrm{tot}}$ of the global ground states of the lithium atom in a.u. as functions of the magnetic field strength $\gamma$.

Figure 2

One-particle ionization energies for the states $\nu {}^{2}0^{+}$ $(\nu =1,2,3,4)$ as a function of the magnetic field strength $\gamma$.

Figure 3

One-particle ionization energies for the states $\nu {}^2(-1)^{+}$ $(\nu =1,2,3,4)$ in a.u. as a function of the magnetic field strength $\gamma$.

Figure 4

One-particle ionization energy for the states $\nu {}^4(-1)^{+}$ $(\nu =1,2,3,4)$ in a.u. as a function of the magnetic field strength $\gamma$.

Figure 5

One-particle ionization energy for the states $\nu {}^4(-1)^{-}$ $(\nu =1,2,3,4)$ in a.u. as a function of the magnetic field strength $\gamma$.

Figure 6

One-particle ionization energy for the states $\nu {}^2(-2)^{+}$ $(\nu =1,2,3,4)$ in a.u. as a function of the magnetic field strength $\gamma$.

Figure 7

One-particle ionization energies for the states $\nu {}^4(-2)^{+}$ $(\nu =1,2,3,4)$ in a.u. as a function of the magnetic field strength $\gamma$.

Figure 8

One-particle ionization energy for the states $\nu {}^4(-3)^{+}$ $(\nu =1,2,3,4)$ in a.u. as a function of the magnetic field strength $\gamma$.

Figure 9

Transition wavelengths $\lambda$ for the linear polarized transitions $\nu {}^4(-1)^{+}\to \mu {}^4(-1)^{-}$ $(\nu ,\mu =1,2,3,4)$ in Å as a function of the magnetic field strength $\gamma$.

Figure 10

Transition wavelengths $\lambda$ for the circular polarized transitions $\nu {}^{2}0^{+}\to \mu {}^2(-1)^2{}_{+}$ $(\nu ,\mu =1,2,3,4)$ in $\mathrm{\AA }$ as a function of the magnetic field strength $\gamma$.

Figure 11

Transition wavelengths $\lambda$ for the circularly polarized transitions $\nu {}^2(-1)^{+}\to \mu {}^2(-2)^{+}$ $(\nu ,\mu =1,2,3,4)$ in $\mathrm{\AA }$ as a function of the magnetic field strength $\gamma$.

Figure 12

Transition wavelengths $\lambda$ for the circularly polarized transitions $\nu {}^4(-1)^{+}\to \mu {}^4(-2)^{+}$ $(\nu ,\mu =1,2,3,4)$ in $\mathrm{\AA }$ as a function of the magnetic field strength $\gamma$.

Figure 13

Transition wavelengths $\lambda$ for the circular polarized transitions $\nu {}^4(-2)^{+}\to \mu {}^4(-3)^{+}$ $(\nu ,\mu =1,2,3,4)$ in $\mathrm{\AA }$ as a function of the magnetic field strength $\gamma$.