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Motta, M., Ceperley, D.M., Chan, G.K.-L., Gomez, J.A., Gull, E., Guo, S., et al. (2017) Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods. Physical Review X, 7, Article ID: 031059.
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TITLE:
Solving the Schrodinger Equation on the Basis of Finite-Difference and Monte-Carlo Approaches
AUTHORS:
Konstantin Eduardovich Plokhotnikov
KEYWORDS:
Schrodinger Equation, Numerical Methods, Finite Difference and Monte-Carlo Methods
JOURNAL NAME:
Journal of Applied Mathematics and Physics,
Vol.9 No.2,
February
26,
2021
ABSTRACT: The paper presents a method of numerical solution of the Schrodinger equation, which combines the finite-difference and Monte-Carlo approaches. The resulting method was effective and economical and, to a certain extent, not improved, i.e. optimal. The method itself is formalized as an algorithm for the numerical solution of the Schrodinger equation for a molecule with an arbitrary number of quantum particles. The method is presented and simultaneously illustrated by examples of solving the one-dimensional and multidimensional Schrodinger equation in such problems: linear one-dimensional oscillator, hydrogen atom, ion and hydrogen molecule, water, benzene and metallic hydrogen.