Chemistry
Susi Lehtola
  • Member for 3 years, 1 month
  • Last seen more than a month ago
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PhD in theoretical physics

Adjunct professor in computational chemistry

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All Questions Answers Articles
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7
Is it true that all of the physical laws and mathematics needed to describe chemistry are known?
Jul 12 '20
6
Hellmann-Feynman Forces with Hartree-Fock
Oct 17 '18
2
Largest system studied by full CI
Oct 3
2
How are the atomic orbitals for multi electron atoms obtained?
Jul 19 '20
Top network posts
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20
Materials Modeling with Raspberry Pi?
19
Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages?
17
What are the pitfalls for new users of DFT?
17
How does the Hartree-Fock method improve on Hartree after considering the wavefunction that takes the anti-symmetry property into account?
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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