Application ofXα multiple‐scattering theory to planar organic molecules: One‐electron properties and ionization potentials of benzene, pyridine, pyrazine, pyrrole, and imidazole

1980 ◽  
Vol 73 (7) ◽  
pp. 3294-3313 ◽  
Author(s):  
David A. Case ◽  
Michael Cook ◽  
Martin Karplus
Keyword(s):  
Multiple Scattering ◽  
Scattering Theory ◽  
Organic Molecules ◽  
Ionization Potentials ◽  
Multiple Scattering Theory

Multiple-scattering theory with a truncated basis set

1992 ◽  
Vol 46 (12) ◽  
pp. 7433-7447 ◽  
Author(s):  
X.-G. Zhang ◽  
W. H. Butler
Keyword(s):  
Multiple Scattering ◽  
Scattering Theory ◽  
Basis Set ◽  
Multiple Scattering Theory
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