Aquantumdynamiccalculationonafive-dimensionalO2/LiF（001）modelsystemisperformedusingthemulti-configurationtime-dependentHartreemethod.Theobtainedresultsshowthatthemechanismofrotationalanddiffractiveexcitationindetails:Comparisonwiththerotationalexcitedstate,theinitiallynon-rotationalstateisseentofavortheinelasticscatteringintherotationalexcitationprocess.Thesurfacecorrugationcandampthequantuminterferencesandproduceagreateramountofrotationalinelasticscatteringattheexpenseoftheelasticprocessintherotationalexcitationprocess.Thediffractionprocessandtheaverageenergytransferredintotherotationalanddiffractivemodearealsodiscussed.
