Shell model potential for PbTiO3and its applicability to surfaces and domain walls

2008 ◽  
Vol 20 (32) ◽  
pp. 325225 ◽  
Author(s):  
T Shimada ◽  
K Wakahara ◽  
Y Umeno ◽  
T Kitamura
Keyword(s):  
Shell Model ◽  
Domain Walls ◽  
Model Potential

A New Scheme of Shell Model Potential for Hydrogen System

2010 ◽  
Vol 156-157 ◽  
pp. 1590-1593
Author(s):  
Xun Wang ◽  
Hong Sun ◽  
Yue Hua Wang ◽  
Zhen Ning Ma ◽  
Qing Jie Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Energy Level ◽  
Ab Initio ◽  
Shell Model ◽  
Ab Initio Calculation ◽  
Geometry Optimization ◽  
Model Potential ◽  
Trigonometric Function ◽  
Hydrogen System ◽  
Calculation Results

The shell model (SM) can simulate dipole and other properties concerning electrons. In this paper, an new scheme of SM potential is developed. Unlike the traditional SM, there are no harmonic spring between core and shell, and the potential functions are Coulomb potential multiplied by trigonometric function. The parameters of SM for hydrogen system were fitted by electronic structure data, which is from quantum chemistry ab initio calculation of H, + 2 H and 2 H . And the potential was examined by calculating the most stable structure of H2 and + 2 H by geometry optimization globally, which is agree with the ab initio calculation results. Furthermore, even the energy level of H atom can be calculated by this scheme SM potential, but the reasonable results can not obtained.

scholarly journals Study of Bound Nucleon Wave Functions by Coulomb Stripping in the Reaction 208Pb(d, p)209Pb

1966 ◽  
Vol 21 (7) ◽  
pp. 1015-1020
Author(s):  
M. Dost ◽  
W. R. Hering
Keyword(s):  
Shell Model ◽  
Cross Sections ◽  
Model Potential ◽  
Wave Functions ◽  
Nuclear Potential ◽  
Absolute Value ◽  
Spectroscopic Factors ◽  
Normalizing Constants ◽  
Laboratory Angle ◽  
True Values

The differential cross sections of the 208Pb(d, p)209Pb transitions to the states 9/2+, 5/2+*, ½+, 7/2+, and 3/2+ in 209Pb were measured at 135° laboratory angle for deuteron energies between 7.0 and 10.5 MeV. The data below 8.0 MeV were analyzed in COULOMB Wave BORN Approximation to give accurate spectroscopic factors of the five levels according to a simple shell model potential in the final nucleus. The dependence on some of the parameters that determine this potential is studied. The absolute value of the normalizing constants of the bound neutron wave functions outside the nuclear potential well are determined without reference to any shell model potential, i. e. their true values are given. It is confirmed that the ground and excited states up to 2.52 MeV in 209Pb are pure single particle states so that from their study one can draw a proper shell model potential in the lead region.

Phonon dynamics of lanthanum manganiteLaMnO3using an interatomic shell model potential

2007 ◽  
Vol 75 (21) ◽  
Author(s):  
E. G. Rini ◽  
Mala N. Rao ◽  
S. L. Chaplot ◽  
N. K. Gaur ◽  
R. K. Singh
Keyword(s):  
Shell Model ◽  
Model Potential ◽  
Phonon Dynamics

scholarly journals Deformation and Spin 1 Effects

1989 ◽  
Vol 42 (6) ◽  
pp. 591
Author(s):  
K Amos ◽  
J Raynal
Keyword(s):  
Elastic Scattering ◽  
Shell Model ◽  
Optical Model ◽  
Model Potential ◽  
Proton Scattering ◽  
The Real ◽  
Optical Model Potential ◽  
T Matrix

Elastic scattering measurables for 547 MeV proton scattering from l3C are calculated using a nonrelativistic optical model potential in which deformation of the conventional Woods-Saxon forms of the real and imaginary central potentials is allowed, as well as incorporating spin 1 transfer contributions. The latter are estimated from folding a simple two nucleon t-matrix with a Op-shell model wavefunction

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