Eigenvalues and eigenfunctions of Hückel Hamiltonian for carbon species with Dp or Dph symmetry

✍ Scribed by Au-Chin Tang; Qian-Shu Li

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 503 KB
• Volume: 212
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)89343-g

✦ Synopsis

Bigenvalues and eigenfunctions of Hiickel Hamiltonian for carbon species C., n=2p (k+2), with Dp (even k) or Dph (odd k) symmetry have been discussed with help of group theory and graph theory. The derived formulas have been used to calculate the eigenvalues of the whole set of molecules with 3 <p< 12, O<k< 7, and certain general rules were obtained from the calculated