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

摘要

By Using the variational Monte Carlo (VMC) method, we calculate the1s{\sigma}_g state energies, the dissociation energies and the binding energiesof the hydrogen molecule and its molecular ion in the presence of an alignedmagnetic field regime between 0 a.u. and 10 a.u. The present calculations arebased on using two types of compact and accurate trial wave functions, whichare put forward for consideration in calculating energies in the absence ofmagnetic field. The obtained results are compared with the most recent accuratevalues. We conclude that the applications of VMC method can be extendedsuccessfully to cover the case of molecules under the effect of the magneticfield.