Saddle points of the potential energy surface for HCCF determined by an algebraic approach |
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| Authors: | X?Wang Email author" target="_blank">S?DingEmail author |
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| Institution: | (1) School of Physics and Microelectronics, Shandong University, 250100 Jinan, P.R. China;(2) State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, 130023 Changchun, P.R. China |
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| Abstract: | The potential energy surface of the tetratomic molecule HCCF is determined by the U(4) algebraic method. The combination coefficients in the Hamiltonian are gotten from fitting the spectroscopic data. The molecular properties, such as, force constants and dissociation energies, are obtained in terms of the potential energy surface. A saddle point is also derived.Received: 17 November 2003, Published online: 9 March 2004PACS:
02.20.Sv Lie algebras of Lie groups - 34.20.Cf Interatomic potentials and forces |
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