Abstract
AbstractThe Pariser‐Parr‐Pople (PPP) method has revealed rich effects of the π electron Coulomb interaction in (CH)x. We discuss results obtained by the PPP model with the unrestricted Hartree‐Fock (UHF) approximation and we show that concepts introduced by the PPP‐UHF model give a new insight on Franck‐Condon‐type electronically excited states in (CH)x. In the first part of this paper, a brief review of the PPP‐UHF model is given. We introduce phase and amplitude variables and show that solitons in the PPP‐UHF model are phase excitations. In the second part of this paper, the effective Hamiltonian describing phase excitations is derived. We show that the phase Hamiltonian derived by the time‐dependent Hartree‐Fock approximation is the classical limit of the Hamiltonian derived by the bosonization method of Tomonaga, Luther, and others. The phase Hamiltonian has a family of new soliton solutions. These solitons are pure electronic excitations and correspond to the exciton and the magnon in (CH)x.
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