Hyperspherical approach to three-electron atomic systems

Autor:	C. G. Bao, Chi Lin, Xiazhou Yang
Rok vydání:	1996
Předmět:	Physics Adiabatic theorem symbols.namesake Partial differential equation Differential equation Quantum mechanics symbols Electronic structure Atomic and Molecular Physics and Optics Symmetry (physics) Separable partial differential equation Schrödinger equation Spin-½
Zdroj:	Physical Review A. 53:3934-3945
ISSN:	1094-1622 1050-2947
Popis:	The hyperspherical coordinates approach to three-electron atomic systems is further refined by taking into account the symmetry of the electrons analytically. Spins are treated explicitly for both doublet and quartet cases to reduce the three-electron Schr\"odinger equation to a set of coupled two-dimensional partial differential equations in a compact, symmetric form ready for numerical calculations. It is shown that the resulting equations can be accurately solved using B splines. By adopting the adiabatic approximation, the hyperspherical potential curves for singly, doubly, and triply excited states for the $^{2}$${\mathit{P}}^{\mathit{o}}$ symmetry of Li are obtained. \textcopyright{} 1996 The American Physical Society.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e35daeeb32ff5c65b6b959fb9e0e1fcc https://doi.org/10.1103/physreva.53.3934 Zobrazit plný text záznamu