https://doi.org/10.1140/epjd/e2004-00032-4
Saddle points of the potential energy surface for HCCF determined by an algebraic approach
1
School of Physics and Microelectronics, Shandong University, Jinan 250100, P.R. China
2
State Key Laboratory of Theoretical and Computational Chemistry,
Institute of Theoretical Chemistry, Jilin University, Changchun 130023, P.R. China
Corresponding author: a shlaudin@sdu.edu.cn
Received:
8
September
2003
Revised:
17
November
2003
Published online:
9
March
2004
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.
PACS: 02.20.Sv – Lie algebras of Lie groups / 34.20.Cf – Interatomic potentials and forces
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2004
