Teaching-MP2
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A simple MP2 code for small system. Need PySCF installed. Refs: some books such as Szabo, A. and Ostlund, N.S. (1996) Modern Quantum Chemistry. Run: python teaching-mp2.py
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A simple MP2 code for small system. Need PySCF installed. Refs: some books such as Szabo, A. and Ostlund, N.S. (1996) Modern Quantum Chemistry. Run: python teaching-mp2.py