Informace o publikaci
The Maximal Excess Charge in Muller Density-Matrix-Functional Theory
| Autoři | |
|---|---|
| Rok publikování | 2018 |
| Druh | Článek v odborném periodiku |
| Časopis / Zdroj | Annales Henri Poincaré |
| Fakulta / Pracoviště MU | |
| Citace | |
| www | http://dx.doi.org/10.1007/s00023-018-0695-1 |
| Doi | http://dx.doi.org/10.1007/s00023-018-0695-1 |
| Klíčová slova | Thomas-Fermi; ionization conjecture; atoms; molecules; model; bounds |
| Popis | We consider an atom described by Muller theory, which is similar to Hartree-Fock theory, but with a modified exchange term. We prove that a nucleus of charge Z can bind at most Z+C electrons, where C is a universal constant. Our proof proceeds by comparison with Thomas-Fermi theory, and a key ingredient is a novel bound on the number of electrons far from the nucleus. |