Fine structure relaxation of aluminum by atomic argon between 30 and 300 K: An experimental and theoretical study

1998 ◽  
Vol 108 (24) ◽  
pp. 10319-10326 ◽  
Author(s):  
S. D. Le Picard ◽  
B. Bussery-Honvault ◽  
C. Rebrion-Rowe ◽  
P. Honvault ◽  
A. Canosa ◽  
...  
Keyword(s):  
Fine Structure ◽  
Theoretical Study ◽  
Structure Relaxation

Fine-structure state resolved rotationally inelastic collisions of CH(A [sup 2]Δ,v=0) with Ar: A combined experimental and theoretical study

2001 ◽  
Vol 114 (10) ◽  
pp. 4479 ◽  
Author(s):  
M. Kind ◽  
F. Stuhl ◽  
Yi-Ren Tzeng ◽  
Millard H. Alexander ◽  
Paul J. Dagdigian
Keyword(s):  
Fine Structure ◽  
Theoretical Study ◽  
Inelastic Collisions ◽  
Structure State

Theoretical Study of Near-Edge X-ray Absorption Fine Structure Spectra of Metal Phthalocyanines at C and N K-Edges

2012 ◽  
Vol 116 (11) ◽  
pp. 2885-2894 ◽  
Author(s):  
R. De Francesco ◽  
M. Stener ◽  
G. Fronzoni
Keyword(s):  
Fine Structure ◽  
Theoretical Study ◽  
Metal Phthalocyanines ◽  
X Ray ◽  
Absorption Fine ◽  
C And N ◽  
X Ray Absorption

scholarly journals Theoretical Study of Excitonic Complexes in GaAs/AlGaAs Quantum Dots Grown by Filling of Nanoholes

2021 ◽  
Vol 2021 ◽  
pp. 1-8
Author(s):  
Mohamed Omri ◽  
Amor Sayari ◽  
Larbi Sfaxi
Keyword(s):  
Quantum Dots ◽  
Optical Properties ◽  
Fine Structure ◽  
Theoretical Study ◽  
Three Dimensional ◽  
Correlation Effect ◽  
Wave Functions ◽  
Transition Energies ◽  
New Family ◽  
Effective Mass Schrödinger Equation

In this work, a theoretical study of the electronic and the optical properties of a new family of strain-free GaAs/AlGaAs quantum dots (QDs) obtained by AlGaAs nanohole filling is presented. The considered model consists of solving the three-dimensional effective-mass Schrödinger equation, thus providing a complete description of the neutral and charged complex excitons’ fine structure. The QD size effect on carrier confinement energies, wave functions, and s-p splitting is studied. The direct Coulomb interaction impact on the calculated s and p states’ transition energies is investigated. The behaviour of the binding energy of neutral and charged excitons (X− and X+) and biexciton XX versus QD height is studied. The addition of the correlation effect allows to explain the nature of biexcitons often observed experimentally.

A theoretical study of the near edge X-ray absorption fine structure of amino acids and proteins

2011 ◽  
Vol 501 (4-6) ◽  
pp. 540-546 ◽  
Author(s):  
Matthew W. Buckley ◽  
Nicholas A. Besley
Keyword(s):  
Amino Acids ◽  
Fine Structure ◽  
Theoretical Study ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Theoretical Study of Interesting Fine-Structure Splittings for 2 3 P 0,1,2 States along Helium Isoelectronic Sequence

2008 ◽  
Vol 25 (7) ◽  
pp. 2448-2451
Author(s):  
Qing Bo ◽  
Chen Shao-Hao ◽  
Gao Xiang ◽  
Li Jia-Ming
Keyword(s):  
Fine Structure ◽  
Theoretical Study ◽  
Isoelectronic Sequence

Theoretical study on mechanisms of anomalous fine structure in the magnesium isoelectronic sequence

2010 ◽  
Vol 43 (10) ◽  
pp. 105001 ◽  
Author(s):  
C Cheng ◽  
X L Zhang ◽  
X Gao ◽  
B Qing ◽  
J M Li
Keyword(s):  
Fine Structure ◽  
Theoretical Study ◽  
Isoelectronic Sequence

Theoretical Study of Interesting Fine-Structure Splittings Based on a Scenario for Precise Calculations

2010 ◽  
Vol 27 (3) ◽  
pp. 033101 ◽  
Author(s):  
Zhang Xiao-Le ◽  
Cheng Cheng ◽  
Gao Xiang ◽  
Li Jia-Ming
Keyword(s):  
Fine Structure ◽  
Theoretical Study

scholarly journals Theoretical study of α- and γ-V2O5 double-walled nanotubes

2016 ◽  
Vol 56 (2) ◽  
Author(s):  
Vitaly V. Porsev ◽  
Andrei V. Bandura ◽  
Robert A. Evarestov
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Theoretical Study ◽  
First Principles Calculations ◽  
Structure Relaxation ◽  
Atomic And Electronic Structure

The first-principles calculations of the atomic and electronic structure of double-walled nanotubes (DWNTs) of γ-V2O5 have been performed and the obtained properties have been compared with those of α-V2O5 ones. The DWNT structure relaxation leads to the formation of two types of local regions: (1) adhesion regions and (2) puckering regions. Although the structure of adhesion regions of α-V2O5 DWNTs is close to the structure of bulk α-V2O5, this is not the case for γ-V2O5 DWNTs. The resulting structure of adhesion regions in γ-V2O5 SWNTs allows us to assume the existence of hypothetical stable phases, with one of them resembling the experimentally observed R-Nb2O5 and (V0.7Mo0.3)2O5 crystals.

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