Dynamics of the O(1D)+HD reaction: A quasiclassical trajectory multisurface study

15 pags., 17 figs., 3 tabs.The potential energy surfaces (PES) of deuterium compounds studied using quasiclassical trajectory (QCT) and quantum mechanics (QM) methods are presented. PES correlates with ground state reagents and not with ground state products and undergo nonadiabatic transitions. The product translational energy distributions of the compounds were also carried out using molecular beam experiments.We are most grateful to Dr. A. Dobbyn and Professor P. Knowles for providing us with the codes of the DK potential energy surfaces which were computed under Grant No. GR/ K41656 of the EPSRC. We also thank Professor Kopin Liu for sending us Refs. 32 and 33 prior to publication. J.F.C. acknowledges financial support through the program ‘‘Acciones para la incorporacio´n de doctores y tecno´logos’’ from the Ministry of Education and Culture of Spain. The Computer resources from the Centro de Supercomputacion Complutense ~Origin 2000! are gratefully acknowledged. This work has been financed by the CICYT of Spain under Contract No. PB98-0763-CO3 and EU Research Training Network ‘‘Reaction Dynamics’’ HPRN-CT-1999-00007