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

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.

Keywords

• coherent state
• scherodinger equation
• diffusive monte-carlo
• electronic levels