Konu "Molecular vibrations" için FEF - Makale Koleksiyonu | Enformasyon Teknolojileri Bölümü / Department of Information Technologies listeleme
Toplam kayıt 2, listelenen: 1-2
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Elucidation of the complete set of H-2 electronic states' vibrational data
(Pergamon-Elsevier Science Ltd, 2004-11)We have previously established that, the vibration period T of a diatomic molecule, can be expressed as T = [4pi(2)/(rootninjh)]rootgM(0)m(e)r(2), where M-0 is the reduced mass of the nuclei, M-e the mass of the electron, ... -
A parallel implementation: Real space Green's function technique
(Sage Publications, 2007-04)We develop an MPI-based parallel algorithm to implement the real space Green's function technique for calculating the vibrational density of states corresponding to a solid. The Hamiltonian describing the interactions ...