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Diffstat (limited to 'science/2dhf/pkg-descr')
| -rw-r--r-- | science/2dhf/pkg-descr | 8 |
1 files changed, 8 insertions, 0 deletions
diff --git a/science/2dhf/pkg-descr b/science/2dhf/pkg-descr new file mode 100644 index 000000000000..90fc46d8cf5d --- /dev/null +++ b/science/2dhf/pkg-descr @@ -0,0 +1,8 @@ +A Numerical Hartree-Fock Program for Diatomic Molecules + +The program finds virtually exact solution of the Hartree-Fock +and Hartree-Fock-Slater equations for diatomic molecules. The +lowest eigenstates of a given irreducible representation and +spin can be obtained. Distributed under GPL. + +WWW: http://staff.csc.fi/~laaksone/Num2d.html |