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Influence of the long-range coulomb interaction upon the energy spectrum of infinite polyenes

✍ Scribed by Nikolay Tyutyulkov; Ivo Kanev; Obis Castañno; Oskar Polansky; Heinz Barentzen

Publisher
Springer
Year
1980
Tongue
English
Weight
446 KB
Volume
55
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES

An efficient procedure to evaluate long-
An efficient procedure to evaluate long-range coulombic interactions within the framework of the LCAO–CO method for infinite polymers
✍ Lucjan Piela; Joseph Delhalle 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 602 KB

## Abstract A very efficient and exact method for calculating the long‐range effects in polymers is reported. The method is based on the multipole expansion within the Fock operator, and exact summation up to infinity is carried out. Only a small number of __one__‐__electron__ integrals have to be