Simulation of Electronic Ground State of H+ 2Using Optimized Coupled Coherent States Method

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MORSHEDIAN N.; VAFAEE M.

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Paper Information

Journal: JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY Year:2018 | Volume:- | Issue:84 Page(s): 61-65

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Title

Simulation of Electronic Ground State of H+ 2Using Optimized Coupled Coherent States Method

Author(s)

MORSHEDIAN N. | VAFAEE M. | Issue Writer Certificate

Keywords

Coherent StateQ1

Scherodinger EquationQ1

Diffusive Monte-CarloQ1

Electronic LevelsQ1

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 2H . 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.

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APA: Copy

MORSHEDIAN, N., & VAFAEE, M.. (2018). Simulation of Electronic Ground State of H+ 2Using Optimized Coupled Coherent States Method. JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, -(84 ), 61-65. SID. https://sid.ir/paper/97934/en

Vancouver: Copy

MORSHEDIAN N., VAFAEE M.. Simulation of Electronic Ground State of H+ 2Using Optimized Coupled Coherent States Method. JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY[Internet]. 2018;-(84 ):61-65. Available from: https://sid.ir/paper/97934/en

IEEE: Copy

N. MORSHEDIAN, and M. VAFAEE, “Simulation of Electronic Ground State of H+ 2Using Optimized Coupled Coherent States Method,” JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, vol. -, no. 84 , pp. 61–65, 2018, [Online]. Available: https://sid.ir/paper/97934/en

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