Author/Authors :
Dawoud, Jamal The Hashemite University - Department of Chemistry, Jordan , Sallabi, Abdulwahab 7th October University - Department of Physics, Libya , Fasfous, Ismail The Hashemite University - Department of Chemistry, Jordan , Jack, David University of British Columbia - Okanagan - Department of Chemistry, British Columbia, Canada
Abstract :
Perturbation theory calculations of the rotational motion of a hydrogen molecule rotates at the center of a p-type unit cell are reported. These calculations show that the molecular axis of H2 is azimuthally delocalized and hence it can be tunneled into classical forbidden region where the structures are indeed “c” type rather than “p” type. Thus estimating the quantum effects of those species will change the monolayer configurations into c-type structures and hence match the recently reported Helium Atom Scattering (HAS) results.
Keywords :
Hydrogen , Quantum effects , Potential energy surface , Rotational motion , LiF
