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- 19 Should I buy a CPU or a GPU for doing calculations?
- 13 DFT Functional Selection Criteria
- 12 Is it good practise to mix double and triple zeta basis sets?
- 11 What are the advantages of multipole expansion of potentials?
- 11 Publishing software in a convenient way
- 10 Why are correlation consistent basis sets used with DFT calculations?
- 9 What is the reason for including excited states in the wave function in post-Hartree Fock methods?
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