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- W2078173619 abstract "In a recent article [J. Chem. Phys. 118, 6946 (2003)], X.-G. Wang and T. Carrington, Jr. presented an efficient method for computing the vibrational bend levels of five-atom molecules. The method is particularly useful if four of the five atoms are identical, in which case G4 symmetry may be exploited in conjunction with the iterative symmetry-adapted Lanczos method. In this paper, we demonstrate how to extend the group of exploitable symmetry operations to G12, without compromising any of the desirable numerical features of the Wang and Carrington approach. This reduces total CPU effort by at least a factor of 3." @default.
- W2078173619 created "2016-06-24" @default.
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- W2078173619 date "2003-06-18" @default.
- W2078173619 modified "2023-09-26" @default.
- W2078173619 title "Exploiting both C3v symmetry and sparsity in vibrational calculations for methanelike molecules" @default.
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- W2078173619 doi "https://doi.org/10.1063/1.1573193" @default.
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