In mathematics, the folded spectrum method (FSM) is an iterative method for solving large eigenvalue problems.
Here you always find a vector with an eigenvalue close to a search-value \varepsilon. This means you can get a vector \Psi in the middle of the spectrum without solving the matrix.
\Psi_{i+1}= \Psi_i-\alpha( H- \varepsilon \mathbf{1} )^2 \Psi_i, with 0<\alpha^{\,}<1 and \mathbf{1} the Identity matrix.
In contrast to the Conjugate gradient method, here the gradient calculates by twice multiplying matrix H:\;G\sim H\rightarrow G\sim H^2.
Literature
- MacDonald, J. K. L. (1934-11-01). "On the Modified Ritz Variation Method". Physical Review. 46 (9): 828. American Physical Society (APS). Bibcode:1934PhRv...46..828M. doi:10.1103/physrev.46.828. ISSN 0031-899X
- Wang, Lin Wang & Zunger, Alex (1994). "Electronic Structure Pseudopotential Calculations of Large (.apprx.1000 Atoms) Si Quantum Dots". The Journal of Physical Chemistry. 98 (8): 2158–2165. American Chemical Society (ACS). doi:10.1021/j100059a032. ISSN 0022-3654
- Wang, Lin-Wang & Zunger, Alex (1994). "Solving Schrödinger's equation around a desired energy: Application to silicon quantum dots". The Journal of Chemical Physics. 100 (3): 2394–2397. AIP Publishing. Bibcode:1994JChPh.100.2394W. doi:10.1063/1.466486. ISSN 0021-9606
- https://web.archive.org/web/20070806144253/http://www.sst.nrel.gov/topics/nano/escan.html