Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
112 (2000), S. 8765-8771
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We present an efficient iterative method for calculating energy levels and wave functions. The method requires storing only a small number of vectors but allows one to calculate energy levels and wave functions with far fewer matrix–vector products than the filter diagonalization method of Mandelshtam and Taylor. A zeroth-order Hamiltonian is used to precondition a spectral transform Lanczos method. © 2000 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.481492
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