Methyl Fluorocarbonyl Disulfide (FC(O)SSMe): A Theoretical Study on the Structural and Conformational Properties of Its Neutral Ground State and Lowest-Lying Cationic State

2003 ◽  
Vol 86 (7) ◽  
pp. 2379-2395 ◽  
Author(s):  
Mauricio F. Erben ◽  
Carlos O. Della Védova
Keyword(s):  
Ground State ◽  
Theoretical Study ◽  
Conformational Properties ◽  
Neutral Ground

POLARON IN A QUANTUM DOT UNDER AN ELECTRIC FIELD

2007 ◽  
Vol 21 (24) ◽  
pp. 1635-1642
Author(s):  
MIAN LIU ◽  
WENDONG MA ◽  
ZIJUN LI
Keyword(s):  
Quantum Dot ◽  
Electric Field ◽  
Field Intensity ◽  
Ground State Energy ◽  
Ground State ◽  
Electric Field Intensity ◽  
State Energy ◽  
Theoretical Study ◽  
The Moment ◽  
Transformation Methods

We conducted a theoretical study on the properties of a polaron with electron-LO phonon strong-coupling in a cylindrical quantum dot under an electric field using linear combination operator and unitary transformation methods. The changing relations between the ground state energy of the polaron in the quantum dot and the electric field intensity, restricted intensity, and cylindrical height were derived. The numerical results show that the polar of the quantum dot is enlarged with increasing restricted intensity and decreasing cylindrical height, and with cylindrical height at 0 ~ 5 nm , the polar of the quantum dot is strongest. The ground state energy decreases with increasing electric field intensity, and at the moment of just adding electric field, quantum polarization is strongest.

Theoretical Study of the Fragmentation Pathways of Norbornane in Its Doubly Ionized Ground State

2007 ◽  
Vol 111 (42) ◽  
pp. 10834-10848 ◽  
Author(s):  
Stefan Knippenberg ◽  
Balázs Hajgató ◽  
Jean-Pierre François ◽  
Michael S. Deleuze
Keyword(s):  
Ground State ◽  
Theoretical Study ◽  
Fragmentation Pathways

Theoretical study of ground state and high-pressure phase of platinum carbide

2008 ◽  
Vol 69 (11) ◽  
pp. 2907-2910 ◽  
Author(s):  
M. Rabah ◽  
D. Rached ◽  
M. Ameri ◽  
R. Khenata ◽  
A. Zenati ◽  
...  
Keyword(s):  
High Pressure ◽  
Ground State ◽  
Theoretical Study ◽  
High Pressure Phase ◽  
Pressure Phase

scholarly journals Терагерцовая спектроскопия магнитоэлектрика HoAl-=SUB=-3-=/SUB=-(BO-=SUB=-3-=/SUB=-)-=SUB=-4-=/SUB=-

2022 ◽  
Vol 130 (1) ◽  
pp. 59
Author(s):  
А.М. Кузьменко ◽  
В.Ю. Иванов ◽  
А.Ю. Тихановский ◽  
А.Г. Пименов ◽  
А.М. Шуваев ◽  
...  
Keyword(s):  
Crystal Field ◽  
Excited States ◽  
Ground State ◽  
Theoretical Study ◽  
Low Frequency ◽  
Local Symmetry ◽  
Matrix Elements ◽  
The Matrix ◽  
Excitation Conditions ◽  
Ground Multiplet

Experimental and theoretical study of submillimeter (terahertz) spectroscopic and magnetic properties of the rare-earth aluminum borate HoAl3(BO3)4 were performed at temperatures 3–300 K. In the transmittance spectra a number of resonance lines were detected at frequencies 2–35 cm–1 for different radiation polarizations. These modes were identified as transitions between the lower levels of the ground multiplet of the Ho3+ ion split by the crystal field, including both transitions from the ground state to the excited ones and transitions between the excited states. The established excitation conditions of the observed modes and the simulation of the spectra made it possible to separate the magnetic and electric dipole transitions and to determine the energies of the corresponding states, their symmetry, and the matrix elements of the transitions. Low-frequency lines that do not fit into the established picture of the electron states of Ho3+ were also found; these lines, apparently, correspond to the ions with the distorted by defects local symmetry of the crystal field.

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