************OWARI COMPLEX SEMINAR LIV*************

Title : Molecular excited states in proteins and 
solutions: Color-tuning via interactions

Speaker : Dr. Jun-ya Hasegawa

Affiliation : Catalysis Research Center, Hokkaido 
Universit

Date : Tues. Jul. 30th, 16:30 pm (Almost one hour)

Place : 1F 3rd lecture Room, Graduate School of 
Information Science

Abstract :
In visual pigments and fluorescent proteins, 
controlling photo-absorption/emission energy 
of a chromophore is the essential to furnish 
a protein with the photo-functionality. Depending 
on the molecular interactions with protein 
environment, these chromophores show a variety of 
photo-absorption/emission energies. In this 
seminar, some of our theoretical studies on the 
spectral tuning mechanism in photo-biological 
systems are summarized. SAC-CI/AMBER results were 
analyzed in terms of structural, environmental 
electrostatic, counter ion QM effects. We also 
adopted a LMO-CI approach to analyze the 
environmental QM effect. The result also suggests 
structure of excited-state wave function including 
environmental electronic structural effect.

**************************************************