| Budget Amount *help |
¥46,410,000 (Direct Cost: ¥35,700,000、Indirect Cost: ¥10,710,000)
Fiscal Year 2023: ¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2022: ¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2021: ¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2020: ¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2019: ¥26,130,000 (Direct Cost: ¥20,100,000、Indirect Cost: ¥6,030,000)
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| Outline of Final Research Achievements |
We have numerically implemented the time-dependent multiconfiguration self-consistent field methods for first-principles calculations of intense field and attosecond phenomena induced in molecules irradiated by intense femtosecond laser pulses. First-principles calculations of electron-nuclear correlation dynamics in diatomic molecules have now become possible, and even nuclear motion is treated quantum mechanically to simulate molecular dissociation and isotope effects. In addition, we have developed the multiconfiguration time-dependent Hartree-Fock code using curvilinear coordinates, which has made it possible to calculate, for example, high-harmonic generation from acetylene molecules. Furthermore, the time-dependent complete-active-space self-consistent-field method has successfully been numerically implemented for diatomic molecules using prolate spheroidal coordinates.
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