English

Bounds for the Huckel energy of a graph

Combinatorics 2009-09-04 v2

Abstract

Let GG be a graph on nn vertices with r:=n/2r := \lfloor n/2 \rfloor and let λ1...λn\lambda_1 \geq...\geq \lambda_{n} be adjacency eigenvalues of GG. Then the H\"uckel energy of GG, HE(GG), is defined as \he(G) = {ll} 2\sum_{i=1}^{r} \lambda_i, & \hbox{if $n= 2r$;} 2\sum_{i=1}^{r} \lambda_i + \lambda_{r+1}, & \hbox{if $n= 2r+1$.} The concept of H\"uckel energy was introduced by Coulson as it gives a good approximation for the π\pi-electron energy of molecular graphs. We obtain two upper bounds and a lower bound for HE(G)(G). When nn is even, it is shown that equality holds in both upper bounds if and only if GG is a strongly regular graph with parameters (n,k,λ,μ)=(4t2+4t+2,2t2+3t+1,t2+2t,t2+2t+1),(n, k, \lambda, \mu) = (4t^2 +4t +2, 2t^2 +3t +1, t^2 +2t, t^2 + 2t +1), for positive integer tt. Furthermore, we will give an infinite family of these strongly regular graph whose construction was communicated by Willem Haemers to us. He attributes the construction to J.J. Seidel.

Keywords

Cite

@article{arxiv.0908.2667,
  title  = {Bounds for the Huckel energy of a graph},
  author = {Ebrahim Ghorbani and Jack H. Koolen and Jae Young Yang},
  journal= {arXiv preprint arXiv:0908.2667},
  year   = {2009}
}

Comments

13 pages; historical points and some references added