The Use of Free Electron Model Wave Functions in the Derivation and Representation of LCAO MO Wave Functions of Conjugated Molecules

1953 ◽  
Vol 21 (7) ◽  
pp. 1287-1292 ◽  
Author(s):  
H. H. Jaffé
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.


1996 ◽  
Vol 45 (5) ◽  
pp. 869
Author(s):  
YANG GUO-LIN ◽  
LI BO-ZANG ◽  
LI LIE-MING ◽  
SUN GANG ◽  
WU JIAN-HUA ◽  
...  

2002 ◽  
Vol 16 (31) ◽  
pp. 4775-4781 ◽  
Author(s):  
N. HADJI

Two analytical techniques for the determination (within the limits of validity of the free electron model) of the absolute atom concentration (AAC) are reported in details. One of these may be useful for the determination of a AAC for chemical elements (e.g. hydrogen) which are not easy to detect. EELS is used.


2013 ◽  
Vol 361 ◽  
pp. 82-85 ◽  
Author(s):  
Weiming Yang ◽  
Haishun Liu ◽  
Chaochao Dun ◽  
Jiawei Li ◽  
Yucheng Zhao ◽  
...  

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