Direct evaluation via forced oscillation method of the electronic state density of sizable clusters

2006 ◽  
Vol 28 (2) ◽  
pp. 584-593
Author(s):  
R. Conte ◽  
G. P. Arrighini ◽  
C. Guidotti
Keyword(s):  
Electronic State ◽  
Forced Oscillation ◽  
State Density ◽  
Direct Evaluation ◽  
Electronic State Density ◽  
Oscillation Method

scholarly journals X-ray spectroscopy study of ThO2 and ThF4

2010 ◽  
Vol 25 (1) ◽  
pp. 8-12
Author(s):  
Anton Teterin ◽  
Mikhail Ryzhkov ◽  
Yury Teterin ◽  
Ernst Kurmaev ◽  
Konstantin Maslakov ◽  
...  
Keyword(s):  
Binding Energy ◽  
Energy Range ◽  
Density Distribution ◽  
Electronic State ◽  
Electronic States ◽  
State Density ◽  
Molecular Orbitals ◽  
Spectral Structure ◽  
X Ray ◽  
Electronic State Density

The structure of the X-ray photoelectron, X-ray O(F)Ka-emission spectra from ThO2 and ThF4 as well as the Auger OKLL spectra from ThO2 was studied. The spectral structure was analyzed by using fully relativistic cluster discrete variational calculations of the electronic structure of the ThO8 D4h) and ThF8 (C2) clusters reflecting thorium close environment in solid ThO2 and ThF4. As a result it was theoretically found and experimentally confirmed that during the chemical bond formation the filled O(F)2p electronic states are distributed mainly in the binding energy range of the outer valence molecular orbitals from 0-13 eV, while the filled O(F)2s electronic states - in the binding energy range of the inner valence molecular orbitals from 13-35 eV. It was shown that the Auger OKLL spectral structure from ThO2 characterizes not only the O2p electronic state density distribution, but also the O2s electronic state density distribution. It agrees with the suggestion that O2s electrons participate in formation of the inner valence molecular orbitals, in the binding energy range of 13-35 eV. The relative Auger OKL2-3L2-3 peak intensity was shown to reflect quantitatively the O2p electronic state density of the oxygen ion in ThO2.

Electronic state density of highly conducting polyacetylene

1991 ◽  
Vol 41 (1-2) ◽  
pp. 117-120 ◽  
Author(s):  
Y. Nogami ◽  
H. Kaneko ◽  
T. Ishiguro ◽  
N. Hosoito ◽  
J. Tsukamoto ◽  
...  
Keyword(s):  
Electronic State ◽  
State Density ◽  
Electronic State Density

scholarly journals Valence electronic state density in thorium dioxide

2008 ◽  
Vol 23 (2) ◽  
pp. 34-42 ◽  
Author(s):  
Anton Teterin ◽  
Mikhail Ryzhkov ◽  
Yury Teterin ◽  
Labud Vukcevic ◽  
Vladimir Terekhov ◽  
...  
Keyword(s):  
Electronic State ◽  
State Density ◽  
Molecular Orbitals ◽  
Photoelectron Spectra ◽  
Spectral Structure ◽  
Discrete Variation ◽  
Thorium Dioxide ◽  
X Ray ◽  
Electronic State Density ◽  
First Time

This work analyses the fine low energy (0-40 eV) X-ray photoelectron spectra of ThO2, taking into account relativistic X?-discrete variation electronic structure calculations for the ThO8 (D4h) cluster reflecting thorium's close environment in ThO2. As a result, it was theoretically shown and experimentally confirmed that Th5f electrons in ThO2 can participate directly (~0.6 Th5f electrons) in chemical bond formation.Th6p electrons were shown to be a significant part (~0.44 Th6p electrons) not only of inner valence molecular orbitals, but to play a significant role in outer valence molecular orbitals formation, as well. Inner valence molecular orbitals composition and sequent order were established to belong to the binding energy range of 13 eV to 40 eV. The valence electronic state density in the range of 0-40 eV in ThO2 was also calculated. For the first time, these data allowed an interpretation of the fine X-ray photoelectron spectra (0-40 eV) and high resolution O4,5(Th) X-ray emition spectral structure (~60 - ~85 eV) of ThO2.

scholarly journals Особенности электронной структуры интерметаллических соединений CeNi-=SUB=-4-=/SUB=-M (M=Fe, Co, Ni, Cu)

2018 ◽  
Vol 60 (3) ◽  
pp. 461
Author(s):  
А.В. Лукоянов ◽  
А.А. Широков
Keyword(s):  
Electronic Structure ◽  
Fermi Level ◽  
Total Energy ◽  
Electronic State ◽  
Magnetic Moments ◽  
State Density ◽  
Total Density ◽  
Substitutional Impurity ◽  
Self Consistent ◽  
Electronic State Density

AbstractThe evolution of the electronic structure of CeNi_4M (M = Fe, Co, Ni, Cu) intermetallics depending on the type of nickel substitutional impurity is explored. We have calculated band structures of these compounds and considered options of substituting one atom in nickel 3 d sublattice in both types of crystallographic positions: 2 c and 3 g . The analysis of total energy self-consistent calculations has shown that positions of 2 c type are more energetically advantageous for single iron and cobalt impurities, whereas a position of 3 g type is better for a copper impurity. The Cu substitutional impurity does not change either the nonmagnetic state of ions or the total density at the Fermi level states. Fe and Co impurities, on the contrary, due to their considerable magnetic moments, induce magnetization of 3 d states of nickel and cause significant changes in the electronic state density at the Fermi level.

The dead volume effect on the elastic moduli measurements using the forced‐oscillation method

2021 ◽  
Author(s):  
V. Mikhaltsevitch ◽  
M. Lebedev ◽  
R. Chavez ◽  
M. Pervukhina ◽  
S. Glubokovskikh ◽  
...  
Keyword(s):  
Elastic Moduli ◽  
Forced Oscillation ◽  
Volume Effect ◽  
Dead Volume ◽  
The Dead ◽  
Oscillation Method

scholarly journals Clinical Application of Calibration Technique for the Forced Oscillation Method with Random Noise Input

1987 ◽  
Vol 57 (7) ◽  
pp. 315-318
Author(s):  
Seiichi Yasuda ◽  
Junichi Masuda ◽  
Hiromasa Sekiguchi ◽  
Masao Nagano ◽  
Hirozumi Morishige ◽  
...  
Keyword(s):  
Clinical Application ◽  
Forced Oscillation ◽  
Random Noise ◽  
Calibration Technique ◽  
Noise Input ◽  
Oscillation Method

scholarly journals Measurement of Nasal Resistance Using the Forced Oscillation Method

1983 ◽  
Vol 76 (3special) ◽  
pp. 1023-1030
Author(s):  
Yukimoto Horibe ◽  
Shigenobu Iwata ◽  
Tadao Nishimura ◽  
Masao Naito ◽  
Teiji Okada ◽  
...  
Keyword(s):  
Forced Oscillation ◽  
Nasal Resistance ◽  
Oscillation Method

Measuring combustion response by a forced oscillation method

1972 ◽  
Author(s):  
R. BROWN ◽  
J. ERICKSON ◽  
W. BABCOCK
Keyword(s):  
Forced Oscillation ◽  
Oscillation Method
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