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6 lines
272 B
Text
6 lines
272 B
Text
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MPQC is the Massively Parallel Quantum Chemistry Program.
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It computes properties of atoms and molecules from first principles
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using the time independent Schrödinger equation. Methods supported
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are: HF, MP2 AND DFT for energies and gradients, OPT2 and ZAPT2
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for energies.
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