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| author | maho <maho@FreeBSD.org> | 2003-07-24 17:50:24 +0800 |
|---|---|---|
| committer | maho <maho@FreeBSD.org> | 2003-07-24 17:50:24 +0800 |
| commit | 501808dc7b61aa0b2ae3bdf7eda2335569580849 (patch) | |
| tree | 6e87e470bdf7c939f39d6c25c3c3de546f0f4efb /science/2dhf/pkg-descr | |
| parent | 8df2a3f7074183f206bf18958f6ec66eb5a9d57f (diff) | |
| download | freebsd-ports-gnome-501808dc7b61aa0b2ae3bdf7eda2335569580849.tar.gz freebsd-ports-gnome-501808dc7b61aa0b2ae3bdf7eda2335569580849.tar.zst freebsd-ports-gnome-501808dc7b61aa0b2ae3bdf7eda2335569580849.zip | |
Added a Numerical Hartree-Fock Program for Diatomic Molecules.
This program package calcluates virtually exact solution of the
Hartree-Fock and Hartree-Fock-Salter equations for diatomic
molecules (distributed under GPL).
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 |