| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2012: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2011: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2010: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
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| Research Abstract |
We developed an ab initio downfolding method to derive effective low-energy models for real strongly correlated materials. To treat large system, we performed a massively parallelization for random -phase-approximation and GW-self-energy codes in the downfolding scheme. We applied this method to derivation for transition-metal compound, organic compound, alkali-cluster-loaded-zeolite, fluerlen, to study low-energy properties. We checked reliability and usefulness of our method by solving the derived model with high-accurate low-energy solver.
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