| Budget Amount *help |
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2012: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2011: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2010: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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| Research Abstract |
Beyond the current quantum chemical framework that is based on the one-electron wavefunction (orbital), a novel quantum chemical theory that is based on the two-electron wavefunction (geminal) and its computer program have been established. It enabled highly accurate quantum chemical calculations of strongly-correlated systems with few parameters. Furthermore, the divide-and-conquer method, which is a large-scale calculation theory, has been developed to enable highly accurate quantum chemical calculations of real systems.
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