Efficient distributed Gaussian basis for rovibrational spectroscopy calculations
Journal of Chemical Physics, ISSN: 0021-9606, Vol: 113, Issue: 1, Page: 211-217
2000
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- 16Captures
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Article Description
The effectiveness of the distributed Gaussian basis sets (DGB) was investigated by considering one-dimensional (1D) harmonic and Morse oscillator systems. It was found that the DGB configurations are very nonorthogonal but extremely efficient. It was also observed that the DGBs are relatively robust with respect to the exact placement of the Gaussian centers.
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