Calculated Excited Atomic Valence‐Electron Energy Values and Oscillator Strengths for Ag Using the Pseudopotential Method

1969 ◽  
Vol 51 (7) ◽  
pp. 3135-3137 ◽  
Author(s):  
George McGinn
1975 ◽  
Vol 63 (1) ◽  
pp. 241-248 ◽  
Author(s):  
Russell H. Huebner ◽  
R. J. Celotta ◽  
S. R. Mielczarek ◽  
C. E. Kuyatt

1966 ◽  
Vol 19 (9) ◽  
pp. 1567 ◽  
Author(s):  
RD Brown ◽  
EK Nunn

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.


2013 ◽  
Vol 124 ◽  
pp. 130-138 ◽  
Author(s):  
Jeffery A. Aguiar ◽  
Bryan W. Reed ◽  
Quentin M. Ramasse ◽  
Rolf Erni ◽  
Nigel D. Browning

2014 ◽  
Vol 115 (3) ◽  
pp. 034302 ◽  
Author(s):  
J. Palisaitis ◽  
A. Lundskog ◽  
U. Forsberg ◽  
E. Janzén ◽  
J. Birch ◽  
...  

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