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

TY - JOUR

T1 - An analytical approach to monoexcited CI for infinite polyenes in the Hubbard approximation

AU - Karadakov, P.

AU - Castaño, O.

PY - 1984/4/27

Y1 - 1984/4/27

N2 - The monoexcited configuration interaction (MCI) spectrum of an infinite polyene with equal bondlengths is discussed in the framework of the π-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.

AB - The monoexcited configuration interaction (MCI) spectrum of an infinite polyene with equal bondlengths is discussed in the framework of the π-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.

UR - http://www.scopus.com/inward/record.url?scp=48749140600&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:48749140600

SN - 0009-2614

VL - 106

SP - 280

EP - 285

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4

ER -