Abstract
Direct evaluation of momentum space Hartree–Fock wave functions require accurate numerical integrations. The purpose of this computer experimentation with the Gauss–Legendre method is to examine the sensitivity of calculated properties on the truncation of the interval of integration for the radial variable.
Original language | English |
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Pages (from-to) | 425-433 |
Number of pages | 9 |
Journal | International Journal of Quantum Chemistry |
Volume | 32 |
Issue number | S21 |
DOIs | |
Publication status | Published - 1987 |