Il Nuovo Cimento A (1965-1970)

, Volume 105, Issue 11, pp 1697–1700 | Cite as

The solution of the nonlinear static Hartree-Fock eigenvalue equations by means of the Lanczos algorithm

  • F. J. Kok
  • H. G. Miller
Note Brevi


In order to avoid large diagonalizations seemingly implied in the solution of the Hartree-Fock equations, an algorithm based on the Lanczos method has been developed to sequentially determine the single-particle eigenstates. This algorithm is computationally more cost effective than the traditional diagonalization technique, since it approximates only the occupied single-particle orbitals and requires only small matrix diagonalizations. The present algorithm is compared with the imaginary time step method for a numerical calculation of the ground state of24Mg and is found to be more rapidly convergent with considerable saving in the computational work required.


21.60.Jz - Hartree-Fock and random-phase approximation 


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Copyright information

© Società Italiana di Fisica 1992

Authors and Affiliations

  • F. J. Kok
    • 1
  • H. G. Miller
    • 1
  1. 1.Department of PhysicsUniversity of PretoriaPretoriaSouth Africa

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