Reactivity dynamics of confined atoms in the presence of an external magnetic field

Abstract

Dynamic profiles of various chemical reactivity indices like chemical potential, chemical hardness, electrophilicity, susceptibility, etc., within a confined environment during the interaction of atoms with strong oscillating time dependent magnetic fields have been studied. In the present study hydrogen and helium atoms in ground state (n = 1), as well as in excited state (n = 20) are considered. Time-dependent Schrödinger equations are solved for the ground and excited states of hydrogen atom and the Rydberg state of the helium atom while a generalized nonlinear Schrödinger equation is solved for the ground state of the helium atom. Dirichlet type boundary condition has been used to implement confinement to the systems. With an increase in the degree of confinement the system gets harder and hence becomes more stable. Keeping the confinement radius fixed, systems get more stabilized in strong field compared to weak field.