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- W1964085027 abstract "A combination of known methods have been spliced together in order to calculate accurate vibrational energies and wavefunctions. The algorithm is based on the Rayleigh-Ritz variational procedure in which the trial wavefunction is a linear combination of configuration products of one-dimensional basis functions. The Hamiltonian is that due to Carney and Porter (1976). The kernel of the algorithm consists o( the one-dimensional basis functions, which are the finite element solutions of the associated one-dimensional problems." @default.
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- W1964085027 date "1986-01-01" @default.
- W1964085027 modified "2023-09-27" @default.
- W1964085027 title "A Numerical Variational Method for Calculating Accurate Vibrational Energy Separations of Small Molecules and Their Ions" @default.
- W1964085027 doi "https://doi.org/10.1071/ph860749" @default.
- W1964085027 hasPublicationYear "1986" @default.
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