Abstract

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Highlights

  • Quantum Monte Carlo (QMC) is a computational method that uses Monte Carlo techniques to solve many-body quantum problems

  • The variance optimization is more efficient than the energy optimization [1]

  • Foulkes et al [9] described the variational and fixed-node diffusion QMC (DQMC) methods and how they may be used to calculate the properties of many-electron systems

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Summary

INTRODUCTION

Quantum Monte Carlo (QMC) is a computational method that uses Monte Carlo techniques to solve many-body quantum problems. The first approximation method in this field is the variational Monte Carlo (VMC) method This method depends on the choice of the trial wave function. The diffusion QMC (DQMC) method is suitable to describe the ground state of many quantum systems [2] In this method, Schrödinger’s equation solved by assuming imaginary time. Pang [8] at an elementary level He highlighted the strengths of the method in addressing important issues associated with quantum many-body systems, such as those associated with the ground-state energy and pair-distribution function.

THE HAMILTONIAN OPERATOR
THE METHOD OF CALCULATIONS
THE TRIAL WAVEFUNCTION
RESULTS AND DISCUSSION
Ground State of Helium Atom in a Strong Magnetic
Ground State of Lithium Atom in a Strong Magnetic Field
Ground State of Beryllium Atom in a Strong
Ground State of Boron Atom in a Strong Magnetic
CONCLUSION
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