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Somayeh added MPQC_Massively_Parallel_Quantum_Chemistry__.tex
over 8 years ago
Commit id: 0824a25fd2e02ff8b619b096186509fbb5e405ea
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MPQC (Massively Parallel Quantum Chemistry Program) is a quantum chemical software that offers many features including closed shell, unrestricted and general restricted open shell Hartree-Fock energies and gradients, closed shell, unrestricted and general restricted open shell density functional theory energies and gradients, second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies and many more.
