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- 17 What exactly is meant by 'multi-configurational' and 'multireference'?
- 16 combining functools.lru_cache with multiprocessing.Pool
- 14 While filling electrons, we follow Aufbau principle, but not while removing them. Why is this so?
- 13 Numpy: Multiplying large arrays with dtype=int8 is SLOW
- 13 Is it possible to find the ratio of isotopes only given the mean mass number?
- 12 How to compute 2-electron integral for Hartree-Fock code?
- 12 Why must basis sets used in computations be non-orthogonal?
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