Top network posts
- 14 While filling electrons, we follow Aufbau principle, but not while removing them. Why is this so?
- 14 What exactly is meant by 'multi-configurational' and 'multireference'?
- 12 Numpy: Multiplying large arrays with dtype=int8 is SLOW
- 12 Is it possible to find the ratio of isotopes only given the mean mass number?
- 12 Why must basis sets used in computations be non-orthogonal?
- 11 How to compute 2-electron integral for Hartree-Fock code?
- 10 How does optimizing the molecular orbital coefficients in CASSCF improve its multi-reference capabilties?
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