Simulation of Electronic Ground State of  Using Optimized Coupled Coherent States Method

Morshedian, N; Vafaee, M

doi:10.24200/nst.2018.1048

Simulation of Electronic Ground State of Using Optimized Coupled Coherent States Method

Document Type : Research Paper

Authors

N Morshedian

M Vafaee

https://doi.org/10.24200/nst.2018.1048

Abstract

The coupled coherent states method (CCS) has been optimized in order to remove the two complexities in the simulation of the ground state of electronic systems. These two complexities are the necessity of the energy restriction in the process of generating CS grid, and the essential refinement of the grid in each time-step. The optimized method which for the first time has been applied for simulation of the potential well of the ground state of one-electron systems such as . The simulation results on the basis of a grid containing only 500 coherent states show a very good consistency with the exact curve. Implementing grids with more coherent states into the simulation would lead to a better consistency with the exact values.

Highlights

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Keywords

Coherent State

Scherodinger Equation

Diffusive Monte-Carlo

Electronic Levels

20.1001.1.17351871.1397.39.2.7.4