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The vibrational levels of C 2 H 2 using an internal coordinate vibrational hamiltonian

✍ Scribed by Carter, S.; Handy, N.C.

Book ID
120581033
Publisher
Taylor and Francis Group
Year
1984
Tongue
English
Weight
368 KB
Volume
53
Category
Article
ISSN
0026-8976

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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, WC are able to apply Lanczos' algorithm efficiently to compute the lowest eigenvalues of varia