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Self-Consistent methods in Hückel and extended Hückel theories

✍ Scribed by A. K. Mukhopadhyay; N. G. Mukherjee

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
214 KB
Volume
19
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

A self‐consistent procedure for the Hückel theory, first indicated by Harris [J. Chem. Phys. 48, 4027 (1968)] has been fully developed. To avoid time consuming repeated orthogonal‐nonorthogonal transformations and diagonalization of large matrices, a steepest descent technique has been suggested.

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