QUALITATIVE FEATURE OF THE LOW-LYING SPECTRUM OF INTRASHELL STATES OF 4-VALENCE-ELECTRON ATOMS DERIVED FROM SYMMETRY CONSIDERATION C.G.Bao
نویسنده
چکیده
Inherent nodal surfaces existing in the wavefunctions of intrashell states of 4-valence-electron atoms have been investigated. The decisive effect of these surfaces has been demonstrated, the ordering of low-lying levels has been predicted, and a primary classification scheme has been proposed PACS: 31.15.Hz, 03.65.-w, 31.90.+s, 31.50.+w
منابع مشابه
Nodal structures of intrashell states of three-valence-electron atoms
The nodal structures of intrashell states of a three-valence-electron atom are investigated. We expand the wave function in the body frame of the three electrons and show that the effect of symmetry such as rotation, space inversion, and permutation is to impose nodal surfaces on the components of the wave function. The equilibrium configuration is deduced to be a coplanar equilateral triangle ...
متن کاملEffects of on-center impurity on energy levels of low-lying states in concentric double quantum rings
In this paper, the electronic eigenstates and energy spectra of single and two-interacting electrons confined in a concentric double quantum rings with a perpendicular magnetic field in the presence of on-center donor and acceptor impurities are calculated using the exact diagonalization method. For a single electron case, the binding energy of on-center donor and acceptor impurities ar...
متن کاملEffects of on-center impurity on energy levels of low-lying states in concentric double quantum rings
In this paper, the electronic eigenstates and energy spectra of single and two-interacting electrons confined in a concentric double quantum rings with a perpendicular magnetic field in the presence of on-center donor and acceptor impurities are calculated using the exact diagonalization method. For a single electron case, the binding energy of on-center donor and acceptor impurities ar...
متن کاملMetal - Metal Bonding in Transition - Metal Clusters with Open d Shells : Pt 3 1197
Ab initio generalized valence bond with configuration interaction calculations have been performed for low-lying electronic states of Pt3. The calculations utilize the relativistic effective core potential developed by Hay and Wadt. Under the constraint of C, symmetry, seven states derived from three d9sl-like Pt atoms (3A1, 5B2, 'B1, 3A2, and 5BI) are predicted to have geometries slightly dist...
متن کاملThe Structure and Chemical Bond of FOX-7: The AIM Analysis and Vibrational Normal Modes
FOX-7 (1,1-diamino-2,2-dinitroethylene) recently is expected as a relatively new energetic material with high-performance and low sensitivity. The RHF and MP2 levels and DFT method with B3LYP functional with aug-cc-pVDZ basis set have been used for obtaining equilibrium geometry and Rho function (electron density distribution). By the aid of fundamental physical theorems implemented in the ...
متن کامل