Title of article
Large-scale matrix diagonalization methods by direct optimization of Taylor expansion of Rayleigh–Ritz quotient up to third order
Author/Authors
Bofill، نويسنده , , Josep Maria and Ribeiro Moreira، نويسنده , , Ibério de Pinho and Anglada، نويسنده , , Josep Maria and Illas، نويسنده , , Francesc، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2000
Pages
8
From page
160
To page
167
Abstract
Large-scale matrix diagonalization methods by direct optimization of Taylor expansion of Rayleigh–Ritz quotient up to third order are presented. Some applications of the quadratic and cubic algorithms, focused in lowest, higher and degenerate roots are discussed and analyzed. The performances of the methods are similar to the Lagrange–Newton–Raphson diagonalization method.
Journal title
Chemical Physics Letters
Serial Year
2000
Journal title
Chemical Physics Letters
Record number
1773445
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