Title of article
Elimination of spurious solutions of the Dirac equation using the Lanczos algorithm
Author/Authors
Andrew ، نويسنده , , R.C. and Miller، نويسنده , , H.G. and Yen، نويسنده , , G.D.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
4
From page
298
To page
301
Abstract
Spurious solutions of the Dirac equation which arise and also occur in finite basis-set calculations can easily be identified and eliminated using the Lanczos algorithm. Numerically convergent eigensolutions of the Dirac Hamiltonian for a relativistic electron in an external central Coulomb-like potential are obtained to demonstrate the method.
Journal title
Chemical Physics Letters
Serial Year
2009
Journal title
Chemical Physics Letters
Record number
1926819
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