A low-storage filter diagonalization method for quantum eigenenergy calculation or for spectral

Mandelshtam, Vladimir A.; Taylor, Howard S.
March 1997
Journal of Chemical Physics;3/22/1997, Vol. 106 Issue 12, p5085
Academic Journal
Presents a version of the filter diagonalization method of diagonalizing large real symmetric Hamiltonian matrices. Application of the Chebyshev polynomial expansion of the Green's function on a generic initial vector; Evaluation of the small Hamiltonian and the overlap matrices in the adapted basis.


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