scholarly journals Correction to “Self-Consistent Magnetosphere-Ionosphere Coupling: Theoretical Studies”

2003 ◽  
Vol 108 (A6) ◽  
Author(s):  
G. V. Khazanov
Keyword(s):  
Theoretical Studies ◽  
Self Consistent

scholarly journals Ultra-strong coupling of molecular materials: spectroscopy and dynamics

2015 ◽  
Vol 178 ◽  
pp. 281-294 ◽  
Author(s):  
Jino George ◽  
Shaojun Wang ◽  
Thibault Chervy ◽  
Antoine Canaguier-Durand ◽  
Gael Schaeffer ◽  
...  
Keyword(s):  
Excited State ◽  
Physical Properties ◽  
Strong Coupling ◽  
Coupled Systems ◽  
Quantum Yields ◽  
Theoretical Studies ◽  
Molecular Materials ◽  
Excitation Spectra ◽  
Emission Properties ◽  
Self Consistent

We report here a study of light–matter strong coupling involving three molecules with very different photo-physical properties. In particular we analyze their emission properties and show that the excitation spectra are very different from the static absorption of the coupled systems. Furthermore we report the emission quantum yields and excited state lifetimes, which are self-consistent. The above results raise a number of fundamental questions that are discussed and these demonstrate the need for further experiments and theoretical studies.

Polarization induced 2D hole gas in GaN/AlGaN heterostructures

2000 ◽  
Vol 639 ◽  
Author(s):  
S. Hackenbuchner ◽  
J. A. Majewski ◽  
G. Zandler ◽  
O. Ambacher ◽  
P. Vogl
Keyword(s):  
Theoretical Studies ◽  
Hole Density ◽  
Aluminium Concentration ◽  
A Value ◽  
Interface Charges ◽  
Self Consistent ◽  
Consistent Solution ◽  
Mg Doped ◽  
Superlattice Period ◽  
Sheet Density

ABSTRACTThe generation of high density 2D hole gases is crucial for further progress in the field of electronic and optoelectronic nitride devices. In this paper, we present results of C-V profiling measurements for N-face GaN/AlGaN heterostructures and systematic theoretical studies of Mg- doped GaN/AlGaN gated heterostructures and superlattices. Our calculations are based on a self- consistent solution of the multiband k.p Schrödinger and Poisson equation and reveal that the hole 2D sheet density is mainly determined by the polarization induced interface charges. For an Aluminium concentration of 30%, the induced hole density in the heterostructure can reach values up to 1.5×1013 cm−2. In the GaN/AlGaN superlattices, the hole sheet density increases with the superlattice period and saturates for a period of 40 nm at a value of 1.5×1013 cm−2.

Theoretical Studies of Nonbenzenoid Hydrocarbons: 16 π-Electron Systems

1971 ◽  
Vol 49 (17) ◽  
pp. 2840-2849 ◽  
Author(s):  
F. W. Birss ◽  
N. K. Das Gupta
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Calculations ◽  
Theoretical Studies ◽  
Electron Systems ◽  
Consistent Field ◽  
Resonance Energies ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Semi Empirical

Hückel and self-consistent-field semi-empirical π-electron molecular orbital calculations on pentalenoheptalene are reported and the results compared to those of pyrene, acepleiadylene, napth[cde]azulene, and cyclohept[bc]acenaphthylene which contain the same number of π electrons. Resonance energies of all molecules calculated by the methods of Dewar and Whitehead are reported. It is suggested that pentalenoheptalene can be treated as two fused azulene nuclei.

Theoretical Studies of some Nonbenzenoid Hydrocarbons. II

1974 ◽  
Vol 52 (1) ◽  
pp. 155-166 ◽  
Author(s):  
Archana DasGupta ◽  
Nadna K. DasGupta
Keyword(s):  
Molecular Orbital ◽  
Configuration Interaction ◽  
Resonance Integral ◽  
Theoretical Studies ◽  
Molecular Orbital Study ◽  
Consistent Field ◽  
Orbital Study ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Good Agreement

A semiempirical self-consistent field molecular orbital study has been made on some nonbenzenoid hydrocarbons using a resonance integral value proposed by Lo and Whitehead (2, 4), Chung and Dewar (3), Dewar and Harget (7), and Yamaguchi et al. (6) without using configuration interaction. It has been observed that spectral transitions calculated using the β-value proposed by Lo and Whitehead and Chung and Dewar are in good agreement with experiment and comparable to those calculated by the β-value proposed by Yamaguchi et al. and Dewar et al.

Hydrogen Storage of Carbon Nanotubes: Theoretical Studies

2011 ◽  
Vol 179-180 ◽  
pp. 722-727 ◽  
Author(s):  
Yan Jin Wang ◽  
Lie Yan Wang ◽  
Shu Bo Wang ◽  
Ling Wu ◽  
Qing Ze Jiao
Keyword(s):  
Carbon Nanotubes ◽  
Hydrogen Storage ◽  
Charge Density ◽  
Density Functional ◽  
Tight Binding ◽  
Theoretical Studies ◽  
Atomic Structures ◽  
Energy Gaps ◽  
Self Consistent ◽  
Tight Binding Method

a self-consistent-charge density-functional tight-binding method was employed to study the electronic and atomic structures of full hydrogenation carbon nanotues (CNTs) which are relevant to hydrogen storage and device application. Intriguing trends of the geometrics, hydrogenation energy and energy gaps of full hydrogenation of carbon nanotubes as a function of the nanotubes diameter will also be described.

The evolution of the Kuiper belt during the formation of the outer planets

1999 ◽  
Vol 173 ◽  
pp. 37-44
Author(s):  
M.D. Melita ◽  
A. Brunini
Keyword(s):  
Kuiper Belt ◽  
Outer Planets ◽  
Self Consistent ◽  
Planetary Bodies ◽  
Mass Depletion

AbstractA self-consistent study of the formation of planetary bodies beyond the orbit of Saturn and the evolution of Kuiper disks is carried out by means of an N-body code where accretion and gravitational encounters are considered. This investigation is focused on the aggregation of massive bodies in the outer planetary region and on the consequences of such process in the corresponding cometary belt. We study the link between the bombardment of massive bodies and mass depletion and eccentricity excitation.

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