this is for holding javascript data
Somayeh edited Siam_Quantum_SQ_is_a__.tex
over 8 years ago
Commit id: 56965d73a3a3fc65b3d0d99384ca3d3d0da2e024
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diff --git a/Siam_Quantum_SQ_is_a__.tex b/Siam_Quantum_SQ_is_a__.tex
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--- a/Siam_Quantum_SQ_is_a__.tex
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Siam
Quantum quantum (SQ) is a C written quantum chemistry program that using quantum mechanics determines the total energy and wave function of molecules within Hartee-Fock and MP2 method. Some of its features are geometry optimization and simple population analysis, calculate Hartree-Fock and restricted MP2 energies of molecules, perform post SCF calculations such as electron density or molecular orbitals.