Folded_spectrum_method

Folded spectrum method

Folded spectrum method

Mathematical method for solving large eigenvalue problems


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 . This means you can get a vector in the middle of the spectrum without solving the matrix.

, with and the Identity matrix.

In contrast to the Conjugate gradient method, here the gradient calculates by twice multiplying matrix

Literature

  • MacDonald, J. K. L. (1934-11-01). "On the Modified Ritz Variation Method". Physical Review. 46 (9). American Physical Society (APS): 828. 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). American Chemical Society (ACS): 2158–2165. 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). AIP Publishing: 2394–2397. 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.doc



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