作者: V. A. Dzuba , V. V. Flambaum , M. G. Kozlov
DOI: 10.1134/1.567108
关键词: Hamiltonian (quantum mechanics) 、 Atomic physics 、 Ab initio 、 Solid-state physics 、 Thallium 、 Core electron 、 Ionization energy 、 Physics 、 Valence electron 、 Configuration interaction
摘要: A new ab initio method for doing high-accuracy calculations atoms with more than one valence electron is described. An effective Hamiltonian the electrons formed using many body perturbation theory residual core-valence interaction. The configuration interaction used then to find energy levels of atom. Application thallium shows that this gives an accuracy about 0.5% ionization potential and a few tenths percent first intervals.