Chemistry
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Susi Lehtola
  • Member for 3 years, 10 months
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PhD in theoretical physics

Adjunct professor in computational chemistry

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All Questions Answers
Score Newest
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7
Is it true that all of the physical laws and mathematics needed to describe chemistry are known?
Jul 12, 2020
answer
6
Hellmann-Feynman Forces with Hartree-Fock
Oct 17, 2018
answer
3
How are the atomic orbitals for multi electron atoms obtained?
Jul 19, 2020
answer
2
Largest system studied by full CI
Oct 3, 2021
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21
Materials Modeling with Raspberry Pi?
19
Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages?
18
How does the Hartree-Fock method improve on Hartree after considering the wavefunction that takes the anti-symmetry property into account?
18
What are the pitfalls for new users of DFT?
17
Since MKL is not optimized for AMD hardware, should I use a math library specific to AMD, or would an open-source one be just as good?

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