scholarly journals Calculating the distance from an electronic wave function to the manifold of Slater determinants through the geometry of Grassmannians

2020 ◽  
Vol 102 (5) ◽  
Author(s):  
Yuri Alexandre Aoto ◽  
Márcio Fabiano da Silva
Keyword(s):  
Wave Function ◽  
Electronic Wave ◽  
Electronic Wave Function

Spatial distribution of the electronic wave function of the shallow boron acceptor in 4H- and 6H-SiC

1999 ◽  
Vol 60 (23) ◽  
pp. 15829-15847 ◽  
Author(s):  
A. van Duijn-Arnold ◽  
J. Mol ◽  
R. Verberk ◽  
J. Schmidt ◽  
E. N. Mokhov ◽  
...  
Keyword(s):  
Wave Function ◽  
Spatial Distribution ◽  
Electronic Wave ◽  
Electronic Wave Function ◽  
Boron Acceptor

Quantum Effects in Cold Molecular Collisions from Spatial Polarization of Electronic Wave Function

2019 ◽  
Vol 10 (4) ◽  
pp. 855-863 ◽  
Author(s):  
Debarati Bhattacharya ◽  
Mariusz Pawlak ◽  
Anael Ben-Asher ◽  
Arie Landau ◽  
Idan Haritan ◽  
...  
Keyword(s):  
Wave Function ◽  
Quantum Effects ◽  
Molecular Collisions ◽  
Electronic Wave ◽  
Electronic Wave Function

scholarly journals Hydrogenic-Donor Impurity Binding Energy Dependence of the Electric Field in GaAs/AlxGa1−xAs Quantum Rings

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
Guangxin Wang ◽  
Xiuzhi Duan ◽  
Wei Chen
Keyword(s):  
Wave Function ◽  
Binding Energy ◽  
Electric Field ◽  
Applied Electric Field ◽  
Donor Impurity ◽  
Electronic Wave ◽  
Hydrogenic Donor Impurity ◽  
Hydrogenic Donor ◽  
Electronic Wave Function ◽  
Radial Thickness

Using a variational method with two-parameter trial wave function and the effective mass approximation, the binding energy of a donor impurity in GaAs/AlxGa1−xAs cylindrical quantum ring (QR) subjected to an external field is calculated. It is shown that the donor impurity binding energy is highly dependent on the QR structure parameters (radial thickness and height), impurity position, and external electric field. The binding energy increases inchmeal as the QR parameters (radial thickness and height) decrease until a maximum value for a central impurity and then begins to drop quickly. The applied electric field can significantly modify the spread of electronic wave function in the QR and shift electronic wave function from the donor position and then leads to binding energy changes. In addition, results for the binding energies of a hydrogenic donor impurity as functions of the impurity position and applied electric field are also presented.

Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations

2000 ◽  
Vol 112 (21) ◽  
pp. 9229-9242 ◽  
Author(s):  
Keld L. Bak ◽  
Poul Jørgensen ◽  
Jeppe Olsen ◽  
Trygve Helgaker ◽  
Wim Klopper
Keyword(s):  
Wave Function ◽  
Basis Set ◽  
Electronic Wave ◽  
Electronic Wave Function
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