Theoretical analysis of the electronic structure of pure and hydrated forms ofAs2O5

1994 ◽  
Vol 50 (4) ◽  
pp. 2090-2094 ◽  
Author(s):  
M. C. G. Passeggi ◽  
I. Vaquila ◽  
S. J. Sferco
Keyword(s):  
Electronic Structure ◽  
Theoretical Analysis

Valence electronic structure of C60: Theoretical analysis of photoemission data

1993 ◽  
Vol 56 (2-3) ◽  
pp. 3246-3251 ◽  
Author(s):  
P. Viruela-Martín ◽  
R. Viruela-Martín ◽  
F. Tomás ◽  
E. Ortí
Keyword(s):  
Electronic Structure ◽  
Theoretical Analysis ◽  
Photoemission Data ◽  
Valence Electronic Structure

Theoretical analysis of the NMR and electronic structure of novel Δ8-THC derivatives

2004 ◽  
Vol 674 (1-3) ◽  
pp. 131-138 ◽  
Author(s):  
Antonio M. Ferreira ◽  
Bob M. Moore ◽  
Mathangi Krishnamurthy
Keyword(s):  
Electronic Structure ◽  
Theoretical Analysis

Electronic Structure of Deep-Lying Sulfur Centers in Si

1985 ◽  
Vol 46 ◽  
Author(s):  
H. J. Zeiger ◽  
W. H. Kleiner
Keyword(s):  
Electronic Structure ◽  
Theoretical Analysis ◽  
Absorption Spectra ◽  
Infrared Absorption ◽  
Ground State ◽  
Uniaxial Stress ◽  
Binding Energies ◽  
Selection Rules ◽  
Infrared Absorption Spectra ◽  
Absorption Frequencies

AbstractA theoretical analysis has been made of infrared absorption spectra measured earlier for four deep-lying sulfur centers in Si. The data consist of absorption frequencies and polarization selection rules determined for uniaxial stress applied along [001], [111], and [110] axes. Both ls + np transitions and ls → ls transitions are observed. The A and B centers (binding energies 0.1090 eV and 0.1872 eV, respectively) are found to be He-like, while the C and D centers (binding energies 0.3683 eV and 0.6116 eV, respectively) are found to be He+-like. The D center spectra are consistent with Td symmetry, while the A, B and C spectra are consistent in most respects with C3v or D3d symmetry. One noteworthy result is the finding that the ls + np spectral frequencies observed under stress for the A center are consistent with a ls(E) ground state.

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