Iterative Methods for Computing Vibrational Spectra
نویسندگان
چکیده
منابع مشابه
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 exploiting the structure of the basis and the structure of a direct product quadrature grid. I outline th...
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ژورنال
عنوان ژورنال: Mathematics
سال: 2018
ISSN: 2227-7390
DOI: 10.3390/math6010013