An-dong Xie

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Accurate theoretical calculations on the MgBr radical have been carried out by using the high-level relativistic multireference configuration interaction method with Davidson correction (MRCI+Q) using correlation-consistent Quintuple-ζ quality basis set. The potential energy curves (PECs) of the 14 Λ-S states of MgBr have been computed. In order to improve(More)
As a practical scheme carrying out the high performance computing tasks for small research groups and personal researchers, we propose a small Beowulf PC-cluster parallel system based on MPI and Windows by employing a set of PCs and 100M Ethernet. The experimental evaluations on the classical case of computing π show that the system has satisfactory(More)
Ab initio calculations on potential energy curves (PECs), spectroscopic constants, transition dipole moments, radiative transition probabilities and lifetimes for the ground state (X(2)Σ(+)) and the first excited state (A(2)Π) of MgX (X=F, Cl, Br, I) molecules are determined by high-level internally contracted multi-reference configuration interaction(More)
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