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- W2000961515 abstract "By choosing the discrete points associated with basis functions which compactly represent vibrational wavefunctions, but yield a sparse Hamiltonian matrix with a well-defined, easily exploitable structure, we are able to apply Lanczos algorithm efficiently to compute the lowest eigenvalues of variational matrices as large as 1000000 x 1000000 to obtain many vibrational states. We use an exact kinetic energy operator in bond angle—bond length coordinates to calculate energy levels of formaldehyde." @default.
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- W2000961515 title "Vibrational energy levels of formaldehyde calculated from an internal coordinate hamiltonian using the Lanczos algorithm" @default.
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- W2000961515 doi "https://doi.org/10.1016/0009-2614(93)90031-u" @default.
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