non port: science/psi3/pkg-descr |
Number of commits found: 1 |
Friday, 19 Mar 2004
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09:32 maho
The PSI3 suite of quantum chemical programs is designed for efficient,
high-accuracy calculations of properties of small to medium-sized molecules.
The package's current capabilities include a variety of Hartree-Fock,
coupled cluster, complete-active-space self-consistent-field,
and multi-reference configuration interaction models.
Molecular point-group symmetry is utilized throughout to maximize efficiency.
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Number of commits found: 1 |