Electron density and dipole moment analysis of valence-electron wave functions

1972 ◽  
Vol 94 (1) ◽  
pp. 64-70 ◽  
Author(s):  
Donald B. Boyd
Keyword(s):  
Dipole Moment ◽  
Electron Density ◽  
Valence Electron ◽  
Wave Functions ◽  
Moment Analysis ◽  
Electron Wave

The dependence of the hyperfine interaction on the cellular potential in Na and K. II

1969 ◽  
Vol 47 (13) ◽  
pp. 1331-1336 ◽  
Author(s):  
R. A. Moore ◽  
S. H. Vosko
Keyword(s):  
Fermi Surface ◽  
Electron Density ◽  
Wave Functions ◽  
Electron Wave ◽  
Surface Electron ◽  
Conduction Electrons ◽  
Hartree Fock ◽  
A Value ◽  
Dependent Potential ◽  
Conduction Electron Density

The dependence of the Fermi surface electron wave functions in Na and K on (i) an L-dependent effective local cellular potential constructed to simulate Hartree-Fock theory and (ii) the inclusion of the Hartree field due to the conduction electrons in the cellular potential is investigated. All calculations are performed using the Wigner–Seitz spherical cellular approximation and the Schrödinger equation is solved by the Kohn variational method. It is found that to ensure a value of the Fermi surface electron density at the nucleus accurate to ~5%, it is necessary to use the L-dependent potential along with the Hartree field due to a realistic conduction electron density.

Magnetotunneling spectroscopy imaging of electron wave functions in self-assembled InAs quantum dots

2001 ◽  
Vol 171 (12) ◽  
pp. 1365
Author(s):  
E.E. Vdovin ◽  
Yu.N. Khanin ◽  
Yu.V. Dubrovskii ◽  
A. Veretennikov ◽  
A. Levin ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Wave Functions ◽  
Electron Wave ◽  
Inas Quantum Dots ◽  
Self Assembled

A free-electron theory of conjugated molecules

1953 ◽  
Vol 49 (4) ◽  
pp. 650-658 ◽  
Author(s):  
J. Stanley Griffith
Keyword(s):  
Free Electron ◽  
Wave Functions ◽  
Electron Charge ◽  
Algebraic Equations ◽  
Electron Wave ◽  
Electron Theory ◽  
Conjugated Molecules ◽  
Electron Charge Density ◽  
Linear Polyenes ◽  
Alternant Hydrocarbons

ABSTRACTThe values of a free-electron eigenfunotion at the carbon nuclei of a conjugated hydrocarbon are found to satisfy a system of algebraic equations. These equations are similar in form to those obtained in the method known as the linear combination of atomic orbitale but only coincide with them for linear polyenes and benzene. The symmetry, degeneracy and energy of the eigenvectors of these free-electron equations correspond exactly to those of the free-electron wave functions found by the usual methods. From this correspondence, a theorem is deduced about the free-electron charge density in alternant hydrocarbons.

Electron wave functions at the nuclear surface

1974 ◽  
Vol 48 (2) ◽  
pp. 91-94 ◽  
Author(s):  
H. Ogata ◽  
J. Asai
Keyword(s):  
Wave Functions ◽  
Nuclear Surface ◽  
Electron Wave

scholarly journals Optics of Chromites and Charge-Transfer Transitions

2008 ◽  
Vol 2008 ◽  
pp. 1-4 ◽  
Author(s):  
Andrei V. Zenkov
Keyword(s):  
Charge Transfer ◽  
Simple Structure ◽  
Electric Dipole Transition ◽  
Wave Functions ◽  
Final States ◽  
Matrix Elements ◽  
Cluster Approach ◽  
Electron Wave ◽  
Charge Transfer Transitions ◽  
Transition Modeling

Specific features of the charge-transfer (CT) states and O2p→Cr3d transitions in the octahedral (CrO6)9− complex are considered in the cluster approach. The reduced matrix elements of the electric-dipole transition operator are calculated on many-electron wave functions of the complex corresponding to the initial and final states of a CT transition. Modeling the optic spectrum of chromites has yielded a complicated CT band. The model spectrum is in satisfactory agreement with experimental data which demonstrates the limited validity of the generally accepted concept of a simple structure of CT spectra.

Electron Wave Functions in Metallic Cesium

1958 ◽  
Vol 112 (4) ◽  
pp. 1061-1062 ◽  
Author(s):  
Joseph Callaway
Keyword(s):  
Wave Functions ◽  
Electron Wave

VALENCE ELECTRON STRUCTURE ANALYSIS OF INTERFACE OF FeAl/TiN COMPOSITES

2007 ◽  
Vol 14 (01) ◽  
pp. 17-21 ◽  
Author(s):  
L. X. PANG ◽  
K. N. SUN ◽  
S. REN ◽  
J. Q. BI ◽  
R. H. FAN
Keyword(s):  
Mechanical Properties ◽  
Electron Density ◽  
Valence Electron ◽  
Valence Electron Structure ◽  
Electron Density Difference ◽  
Relative Electron Density ◽  
Relative Electron ◽  
Nature Of Chemical Bond ◽  
Set Up ◽  
Properties Of Composites

Based on Pauling's nature of chemical bond, the valence electron structures of TiN and FeAl have been constructed, and the relative electron density differences (REDD) between the low index plane of TiN and FeAl , respectively, have been calculated. [110] FeAl //[110] TiN crystallography orientation has been set up from the minimization of the electron density difference across the interface. From the viewpoint of improving the mechanical properties of composites, the formation of such structures must been engineered in the fabrication processing.

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