Atomic and Molecular Calculations with Pseudopotential Method. IV. Excited Atomic Valence‐Electron Energy Values, Wavefunctions, and Oscillator Strengths

1969 ◽  
Vol 50 (3) ◽  
pp. 1404-1418 ◽  
Author(s):  
George McGinn
Keyword(s):  
Electron Energy ◽  
Valence Electron ◽  
Oscillator Strengths ◽  
Pseudopotential Method ◽  
Molecular Calculations ◽  
Atomic Valence

Apparent oscillator strengths for molecular oxygen derived from electron energy‐loss measurements

1975 ◽  
Vol 63 (1) ◽  
pp. 241-248 ◽  
Author(s):  
Russell H. Huebner ◽  
R. J. Celotta ◽  
S. R. Mielczarek ◽  
C. E. Kuyatt
Keyword(s):  
Energy Loss ◽  
Molecular Oxygen ◽  
Electron Energy ◽  
Oscillator Strengths ◽  
Electron Energy Loss

The effect of ionic lattices on the electronic structures of polyatomic ions. I. The triiodide ion

1966 ◽  
Vol 19 (9) ◽  
pp. 1567 ◽  
Author(s):  
RD Brown ◽  
EK Nunn
Keyword(s):  
Electronic Structure ◽  
Molecular Orbital ◽  
Electron Energy ◽  
Electronic Structures ◽  
Valence Electron ◽  
Bond Orders ◽  
Bond Lengths ◽  
Molecular Orbital Study ◽  
Crystalline Environment ◽  
Asymmetric Stretch

A VESCF molecular-orbital study of the electronic structure of the triiodide anion in its crystalline environment in caesium triiodide and in tetraphenylarsonium triiodide reveals the effect of the lattices upon the electronic structures. The calculated total valence-electron energy as a function of the position of the central iodine nucleus provides an understanding of the observed geometries of the anion in the two crystals. The energy plot also implies that the asymmetric stretch of the triiodide is strongly anharmonic in the crystal. A satisfactory correlation exists between observed iodine : iodine bond lengths and computed bond orders.

Quantifying the low-energy limit and spectral resolution in valence electron energy loss spectroscopy

2013 ◽  
Vol 124 ◽  
pp. 130-138 ◽  
Author(s):  
Jeffery A. Aguiar ◽  
Bryan W. Reed ◽  
Quentin M. Ramasse ◽  
Rolf Erni ◽  
Nigel D. Browning
Keyword(s):  
Energy Loss ◽  
Electron Energy ◽  
Spectral Resolution ◽  
Electron Energy Loss Spectroscopy ◽  
Valence Electron ◽  
Low Energy ◽  
Energy Limit ◽  
Electron Energy Loss
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