Dynamical Theory of Chemical Bond by Localized Electron Wavepackets

2017 Fiscal Year Final Research Report

• Project/Area Number: 26620007
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Physical chemistry
• Research Institution: Tokyo Woman's Christian University (2017); Kyoto University (2014-2016)
• Principal Investigator: Ando Koji 東京女子大学, 現代教養学部, 教授 (90281641)
• Project Period (FY): 2014-04-01 – 2018-03-31
• Keywords: 電子ダイナミクス / 量子動力学 / 電子状態 / 原子価結合理論

Outline of Final Research Achievements

Electrons in molecules have been described, in the standard theories of past 80 years, by delocalized quantum waves. However, theory to describe time-dependent dynamics along this line has not been established. In this work, we proposed and examined a new theory that exploit localized electron wave packets. In particular, we have demonstrated that the theory can describe in a compact and accurate manner the high-frequency spectra of light emitted from electrons in motion induced by intense laser pulse.

Free Research Field

理論化学