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This program package calcluates virtually exact solution of the Hartree-Fock and Hartree-Fock-Salter equations for diatomic molecules (distributed under GPL).
9 lines
335 B
Plaintext
9 lines
335 B
Plaintext
A Numerical Hartree-Fock Program for Diatomic Molecules
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The program finds virtually exact solution of the Hartree-Fock
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and Hartree-Fock-Slater equations for diatomic molecules. The
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lowest eigenstates of a given irreducible representation and
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spin can be obtained. Distributed under GPL.
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WWW: http://staff.csc.fi/~laaksone/Num2d.html
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