紀要論文

粒子法とBohm形式による電子状態計算のための数値解析技法の開発

Numerical scheme based on meshfree technique with Bohmian for electronic structure calculations

jpn

24321192

https://doi.org/10.15002/00022732

法政大学大学院情報科学研究科

法政大学大学院紀要. 情報科学研究科編

15

1

6

2020-03-24

Version of Record

In order to describe the time evolution of the electronic state, we have developed a new method, using the particle method with Bohmian, to solve the time-dependent Schrödinger equation. The method has applied to the time-dependent coherent state for a harmonic potential and for interference caused by double slits. Both of the analytical solutions are well-known. In the coherent harmonic oscillation, the ground state is evolved to estimate the excited state, and we follow the dynamic dipole moment as the linear responses of the system under externally applied perturbations in real time. From the polarizability obtained as the Fourier transform of the dipole moment, we calculate the optical strength function. The single peak is observed, which was exactly expected from the analytical solution. For the double slit interference, our SSPH technique has successfully reproduced the analytical solution. We can recognize that the method is quite valid for the time dependent electronic structure calculation.

Article

AA12746425