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A derivation of the exact pi-electron hamiltonian

โœ Scribed by K.F. Freed

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
526 KB
Volume
13
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The exact pi-electron hamiltonian isderived from the full many-electron Schriidinger equation. The derivation employs techniques which also enable the developmenr of open shell generalized perturbation theory. The parameters occurring in the pi-hamiltonian are therefore amenable to cakulation using the approximate theories and methods of Sinano&, Nesbet, Kelly, etc. To a good approximation, * 'Alfred P. SloGa Foundation Feilow. . f For areviq and further references see ref. .[ l] :

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