what is the effect of polarization on orbitation of electron
Answers
Answer:
Though polarized embedding includes the effect of electron polarization in the force field, its reliance on the point-charge model is nonetheless problematic as atomic charges in reality should be more distributed than simple monopoles. To mediate the point-charge model with overconcentrated charges, Darden and coworkers [132–134] have proposed the Gaussian electrostatic model (GEM) to represent the charge density. In this model, the wave function of the system is first calculated with ab initio methods and the obtained electron density is then fitted with a set of Gaussian basis functions according to the variational principle [133].
Explanation:
Answer:
consider a model of an artificial atom with interacting electrons having both spin degrees of freedom and orbital degeneracies. The interaction includes both spin and orbital exchange couplings, which favour a spin polarized ground state with nonzero orbital moment. For the two-electron problem with l=1 orbital degeneracy we enumerate all the eigenstates of the system with and without spin-orbit interaction. We then study quantum transport for the case in which the atom is weakly connected to metallic leads, focusing in particular on the effect of the spin-orbit interaction on the tunnelling conductance. We also discuss how spin-orbit interaction and an external magnetic field influence the conductance when the leads are spin-polarized and tunnelling magneto-resistance is expected.