Iterative Methods for Computing Vibrational Spectra
I review some computational methods for calculating vibrational spectra. They all use iterative eigensolvers to compute eigenvalues of a Hamiltonian matrix by evaluating matrix-vector products (MVPs). A direct-product basis can be used for molecules with five or fewer atoms. This is done by exploiti...
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| Format: | Article |
| Language: | English |
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MDPI AG
2018-01-01
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| Series: | Mathematics |
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| Online Access: | http://www.mdpi.com/2227-7390/6/1/13 |