| Budget Amount *help |
¥18,300,000 (Direct Cost: ¥18,300,000)
Fiscal Year 2009: ¥3,200,000 (Direct Cost: ¥3,200,000)
Fiscal Year 2008: ¥5,500,000 (Direct Cost: ¥5,500,000)
Fiscal Year 2007: ¥5,500,000 (Direct Cost: ¥5,500,000)
Fiscal Year 2006: ¥4,100,000 (Direct Cost: ¥4,100,000)
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| Research Abstract |
We clarified the mechanism of generating nonlinear optical (NLO) phenomena of open-shell systems. The present study first elucidated a close connection between the magnetic interaction and third-order NLO properties, and then constructed novel control guidelines for NLO properties by tuning the diradical character and spin states. Several calculation methods for real open-shell molecules were proposed, and a new class of open-shell NLO molecules was designed. We also developed a quantum master equation approach based on the ab initio MO method, and succeeded in calculating dynamic NLO responses.
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