Behavior of Electron Wave Functions near the Atomic Nucleus and Normalization Screening Theory in the Atomic Photoeffect

1972 ◽  
Vol 5 (3) ◽  
pp. 1063-1072 ◽  
Author(s):  
R. H. Pratt ◽  
H. K. Tseng
2001 ◽  
Vol 171 (12) ◽  
pp. 1365
Author(s):  
E.E. Vdovin ◽  
Yu.N. Khanin ◽  
Yu.V. Dubrovskii ◽  
A. Veretennikov ◽  
A. Levin ◽  
...  

Author(s):  
J. Stanley Griffith

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.


1974 ◽  
Vol 48 (2) ◽  
pp. 91-94 ◽  
Author(s):  
H. Ogata ◽  
J. Asai

2008 ◽  
Vol 2008 ◽  
pp. 1-4 ◽  
Author(s):  
Andrei V. Zenkov

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.


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

1969 ◽  
Vol 47 (13) ◽  
pp. 1331-1336 ◽  
Author(s):  
R. A. Moore ◽  
S. H. Vosko

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.


2012 ◽  
Vol 85 (1) ◽  
Author(s):  
P. M. M. Gabás ◽  
L. F. Errea ◽  
L. Méndez ◽  
I. Rabadán

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