| Budget Amount *help |
¥39,000,000 (Direct Cost: ¥30,000,000、Indirect Cost: ¥9,000,000)
Fiscal Year 2018: ¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
Fiscal Year 2017: ¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2016: ¥10,660,000 (Direct Cost: ¥8,200,000、Indirect Cost: ¥2,460,000)
Fiscal Year 2015: ¥9,100,000 (Direct Cost: ¥7,000,000、Indirect Cost: ¥2,100,000)
Fiscal Year 2014: ¥8,320,000 (Direct Cost: ¥6,400,000、Indirect Cost: ¥1,920,000)
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| Outline of Final Research Achievements |
We have investigated the influence of non-Markovian and non-perturbative system-bath interaction on microscopic system by extending the reduced hierarchal equations of motion (HEOM) formalism. In order to calculate thermodynamics variables, we have derived HEOM in imaginary time, which represents an inverse temperature. To extend an applicability, we have deduced the HEOM for Holstein Hamiltonian. The Schroedinger HEOM has also been introduced to reduce the requirement of computational memory. As applications, we have studied the electron-transfer process by simulating two-dimensional electronic spectroscopy, an exciton coupled electron transfer process, quantum heat-transport and heat engines, multi-dimensional electronic-vibrational spectroscopy for various non-adiabatic transition processes, a quantum spin glass system, and a modeling of molecular liquids on the basis of multi-dimensional vibrational spectroscopy. Some of developed computer codes are provided on our WEB site.
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