The role of two-particle correlations in strongly interacting electron systems

1996 ◽  
Vol 46 (S5) ◽  
pp. 2633-2634
Author(s):  
V. Janiš ◽  
R. Teplý
Keyword(s):  
Electron Systems ◽  
Particle Correlations ◽  
Strongly Interacting

On the Role of the Pauli Antisymmetry Principle in Pericyclic Reactions

1997 ◽  
Vol 52 (10) ◽  
pp. 727-738
Author(s):  
Michael C. Böhm ◽  
Johannes Schütt
Keyword(s):  
Wave Function ◽  
Ground State ◽  
Statistical Difference ◽  
Pericyclic Reactions ◽  
Electron Systems ◽  
Electronic Wave Function ◽  
Quantum Statistical ◽  
Definition Of ◽  
Electronic Ground

Abstract In the present work we discuss the role of the Pauli antisymmetry principle (PAP) in synchronous pericyclic reactions. These reactions are allowed in the electronic ground state whenever the PAP does not act as a quantum constraint in the transition state. The possible suppression of the influence of the PAP is a peculiarity of π electron systems. The PAP is a hidden (= deactivated) variable in the π electron subspace of polyenes and (4n + 2) annulenes (n = 0, 1, 2,...). In 4n annulenes (n = 1, 2, 3,...) it leads to minority signs in the kinetic hopping matrix of the π electronic wave function and thus to an energetic destabilization. The quantum statistical difference between the above families of π systems renders possible a microscopical definition of the quantities “aromaticity” and “antiaromaticity”. The sign behaviour of the kinetic hopping elements is used in the discussion of pericyclic reactions. The present quantum statistical description of these reactions is related to the Dewar-Zimmermann and Woodward-Hoffmann rules.

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