Anand Thirumalai, Jeremy S. Heyl
We have investigated the six most tightly bound states of each of the atoms, helium and lithium, in intense magnetic fields. In this regard, we report new data for two new states of lithium that have not been studied thus far in the literature. The energy levels of these first few low-lying states are calculated in this study employing a pseudospectral method as the computational tool. The methodology involves computing the eigenvalues and eigenvectors of the generalized two-dimensional Hartree-Fock partial differential equations for these two- and three-electron systems in a self-consistent manner. The method described herein is applicable to calculations of atomic structure in magnetic fields of strength in the so-called intense-field regime, as it exploits the natural symmetries of the problem without assumptions of any basis functions for expressing the wave functions of the electrons or the commonly employed adiabatic approximation. It is seen that the results obtained herein are improvements upon single-configuration calculations as well as configuration-interaction methods. It is also seen that the pseudospectral method employed here is considerably more economical, from a computational point of view, than previously employed methods such as a finite-element based approach.
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http://arxiv.org/abs/1203.3437
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