Susi Lehtola

Member for 3 years, 5 months
Last seen this week

Summary

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one-topic-per-answer

147/100 score

18/20 answers

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Answers

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Score Activity Newest

22

Materials Modeling with Raspberry Pi?

May 30, 2020

21

How does the Hartree-Fock method improve on Hartree after considering the wavefunction that takes the anti-symmetry property into account?

May 28, 2020

19

Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages?

Jun 20, 2020

18

What are the pitfalls for new users of DFT?

Jul 18, 2020

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?

May 28, 2020

Questions

Score Activity Newest Views

16

What's the best quantum chemistry output parser for the command line?

Aug 7, 2021

8

Gaussian-n test sets in machine readable format?

Aug 6, 2020

7

Open source FCI solvers for exact diagonalization of the many-electron Hamiltonian

Nov 24, 2021

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density-functional-theory

543

Score

82

posts

quantum-chemistry

250

Score

36

posts

basis-sets

214

Score

34

posts

computational-chemistry

200

Score

31

posts

software

170

Score

18

posts

Reputation

+10

FCI without Hartree-Fock

+20

How to compile Quantum ESPRESSO on CentOS 7?

+55

What is the gold standard ab initio pair-potential between two water molecules?

+10

DFT xc integration grid for periodic boundary conditions

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Jun 16, 2020
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Apr 26, 2021

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quantum-chemistry

Dec 26, 2021

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101

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19

question votes

93

answer votes