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An accelerated quantum chemical molecular dynamics program based on the original tight-binding approximation. By taking into account the long-range Coulombic interaction, systems including ionicity such as oxide or organic molecule systems, which cannot be studied by the conventional tight-binding methods, can be explored. By determining the parameters on the basis of first-principles calculation, the program realizes highly accurate calculation together with the over 5000 faster computation compared to first-principles method. Dynamics of atoms and molecular orbitals at a finite temperature can be studied. |