A NOVEL USE OF HUCKEL PARAMETERS (H,K) FOR THE PAIRING OF EIGENVALUESIN GRAPH SPECTRUM

Authors
PATRA SM MISHRA RK MISHRA BK
Citation
Sm. Patra et al., A NOVEL USE OF HUCKEL PARAMETERS (H,K) FOR THE PAIRING OF EIGENVALUESIN GRAPH SPECTRUM, Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical, 35(10), 1996, pp. 813-817
Citations number
19
Categorie Soggetti
Chemistry
Journal title
Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical → ACNP
ISSN journal
03764710
Volume
35
Issue
10
Year of publication
1996
Pages
813 - 817
Database
ISI
SICI code
0376-4710(1996)35:10<813:ANUOHP>2.0.ZU;2-Q
Abstract
An unusual use of the Huckel parameters (h and k) has been noticed for the derivation of the characteristic polynomial (CP) of the vertex-ed ge weighted graphs. A new pairing scheme for the eigenvalues (X(j)) of the weighed graphs has been proposed in the light of Coulson-Rushbroo ke pairing theorem for the non-bipartite graphs, X(j) + X(n+1-j) = 1/2 Sigma/p h(p) +/- a for j = 1, 2, 3...,n where n, p and 'a' are the nu mber of vertices, number of heteroatoms and a numerical quantity respe ctively.