QUANTUM-THEORY OF ORGANIC POLYMERS

Authors
Citation
Ak. Bakhshi, QUANTUM-THEORY OF ORGANIC POLYMERS, Journal of Scientific & Industrial Research, 52(6), 1993, pp. 407-422
Citations number
117
Categorie Soggetti
Multidisciplinary Sciences
ISSN journal
00224456
Volume
52
Issue
6
Year of publication
1993
Pages
407 - 422
Database
ISI
SICI code
0022-4456(1993)52:6<407:QOOP>2.0.ZU;2-2
Abstract
The present status of the quantum theory of polymers, with emphasis on recent developments, is reviewed. After a brief discussion of the Har tree-Fock crystal orbital method, both in its ab initio and semiempiri cal forms, to calculate the energy band structure of periodic polymers , theoretical methods for the treatment of disorders as well as electr on correlation in both periodic and aperiodic polymers are discussed. The Green matrix formalism developed for studying the interface betwee n two quasi-one-dimensional chains is also briefly mentioned. Finally, some results including a few new ones, obtained using the above theor etical methods are presented with an aim to demonstrate the capabiliti es of the contemporary quantum theory of polymers.