Multi-electron systems in strong magnetic fields II: A fixed-phase diffusion quantum Monte Carlo application based on trial functions from a Hartree-Fock-Roothaan method
نویسندگان
چکیده
We have developed a quantum Monte Carlo application for the computation of energy eigenvalues for atoms and ions in strong magnetic fields. We use guiding wave functions obtained by Hartree-Fock-Rothaan calculations. For these calculations, we use previously published code C. Schimeczek, D. Engel, G. Wunner, Comp. Phys. Comm. 183, 1502 – 1510 (2012)], as well as the recently developed 2DLHFR method described in an accompanying publication.
منابع مشابه
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عنوان ژورنال:
- Computer Physics Communications
دوره 185 شماره
صفحات -
تاریخ انتشار 2014