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Calculation of the π-electron correlation energy of butadiene using the extended separated pair theory

✍ Scribed by E. Kapuy

Publisher
Elsevier Science
Year
1969
Tongue
English
Weight
222 KB
Volume
3
Category
Article
ISSN
0009-2614

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✦ Synopsis

The best separated pair wave function is taken as the zeroth order approximation and a second order correction is calculated to the energy. It is found that the contribution from terms not included in former generalizations of the separated pair theory is very important.

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