Intramolecular spin alignment in pi-conjugated molecules is studied theoretically in a model of a Peierls-Hubbard chain coupled with two localized spins. By means of the exact diagonalization technique, we demonstrate that a spin singlet (S=0) to ...
T Iizuak-Sakano   T Kawamoto   Y Shimoi   S Abe   
SYNTHETIC METALS 135(1-3) 629-630 2003年4月 [査読有り]
A superstructure named staging structure has been proposed in some mixed-stack charge-transfer complexes showing neutral-ionic transitions. It consists of an alternate sequence of the ionic and neutral layers. We investigate its stability by calcu...
By means of Monte Carlo simulations on a kinetic model, we demonstrate that the efficiency of a photoinduced phase change can in general be enhanced drastically by using a superstructure of an appropriate combination of two components. This is due...
K Mukai   S Abe   H Sumi   
INTERNATIONAL JOURNAL OF MODERN PHYSICS B 15(28-30) 3637-3640 2001年12月 [査読有り]
The rate of excitation-energy transfer (EET) within the light-harvesting complex (LH) and from LH to the reaction center (RC) of photosynthetic purple bacteria is calculated, based on a formula for EET between molecular aggregates. We show that op...
T Kawamoto   T Iizuka-Sakano   Y Shimoi   S Abe   
PHYSICAL REVIEW B 64(20) 205107 2001年11月 [査読有り]
We calculated the Madelung energies of both the ground state and excited states in tetrathiafulvalene-p-chloranil by taking into account intramolecular charge distribution. The distribution is found to be significant in the neutral-ionic transitio...