Abstract
We show that an expansion of the amplitude density in a square-integrable basis set leads to much faster convergence of the reactance matrix than a square-integrable expansion of the wavefunction for a quantum mechanical scattering problem. The computational savings for large-scale calculations may be very great.
Original language | English (US) |
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Pages (from-to) | 341-345 |
Number of pages | 5 |
Journal | Chemical Physics Letters |
Volume | 130 |
Issue number | 4 |
DOIs | |
State | Published - Oct 1986 |