Publication details
The Maximal Excess Charge in Muller Density-Matrix-Functional Theory
| Authors | |
|---|---|
| Year of publication | 2018 |
| Type | Article in Periodical |
| Magazine / Source | Annales Henri Poincaré |
| MU Faculty or unit | |
| Citation | |
| Doi | http://dx.doi.org/10.1007/s00023-018-0695-1 |
| Keywords | Thomas-Fermi; ionization conjecture; atoms; molecules; model; bounds |
| Description | 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. |