Ground States of the Hydrogen Molecule and Its Molecular Ion in the Presence of Magnetic Field Using the Variational Monte Carlo Method

Abstract

By Using the variational Monte Carlo (VMC) method, we calculate the 1sσ_g state energies, the dissociation energies and the binding energies of the hydrogen molecule and its molecular ion in the presence of an aligned magnetic field regime between 0 a.u. and 10 a.u. The present calculations are based on using two types of compact and accurate trial wave functions, which are put forward for consideration in calculating energies in the absence of magnetic field. The obtained results are compared with the most recent accurate values. We conclude that the applications of VMC method can be extended successfully to cover the case of molecules under the effect of the magnetic field.

arXiv comment10 pages, 4 figures, 2 tables

References in corpus (4)

• Matter in Strong Magnetic Fields
• Hydrogen molecule in a magnetic field: The lowest states of the Pi manifold and the global ground state of the parallel configuration
• The hydrogen molecule in magnetic fields: The ground states of the Sigma manifold of the parallel configuration
• Excited states of the hydrogen molecule in magnetic fields: The singlet Sigma states of the parallel configuration

Cited by in corpus (4)

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• Screening in the Heitler-London Model: Revisiting the Bonding and Antibonding States of the Hydrogen Molecule
• Non-relativistic solutions for three-body molecules within a Chern-Simons model