An analytical approach to monoexcited CI for infinite polyenes in the Hubbard approximation

✍ Scribed by Peter Karadakov; Obis Castaño

• Book ID: 103023336
• Publisher: Elsevier Science
• Year: 1984
• Tongue: English
• Weight: 390 KB
• Volume: 106
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(84)80296-1

✦ Synopsis

The monoexcited confiiuration interaction (MCI) spectrum of an infinite polyene with equal bondlengths is discussed in the framework of the n-electron approximation employing a Hubbard model hamiltonian.

The MCI eigenvalue problem is reduced to a relatively simple equation for the excitation energies. The analysis of this equation shows that the monoexcitation spectrum of an infinite polyene differs noticeably from its approximation as orbital energy differences.