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A novel finite element method implementation for calculating bound states of triatomic systems: Application to the water molecule

โœ Scribed by J. J. Soares Neto; F. V. Prudente


Publisher
Springer
Year
1994
Tongue
English
Weight
695 KB
Volume
89
Category
Article
ISSN
1432-2234

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A recently proposed (D. Neuhauser, J. Chem. Phys. 93 (1990) 2611) procedure to obtain basis functions for the calculation of bound eigenstates of a Hamiltonian from a solution of the time-dependent Schrtiinger equation is analysed and applied to 2D ArHCl. By propagating an initial wavepacket in time