Chemistry
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Erik Kjellgren

PhD student at University of Southern Denmark.

I find it fun to implement different quantum chemistry methods in python/cython and fortran. If you like take a look at my little QM program on Github SlowQuant - https://github.com/Melisius/SlowQuant

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  • Odense, Danmark
  • @erik_kjellgren
  • Melisius
  • Member for 2 years, 8 months
  • 192 profile views
  • Last seen Mar 30 at 16:35

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20 What properties of carbon dioxide make it a greenhouse gas? Aug 13 '17
16 Hellmann-Feynman Forces with Hartree-Fock Aug 16 '17
10 Spin in meta-GGAs Jun 3 '18
10 Calclulation of MP2 first order wave function Sep 24 '17
10 Cauchy-Schwarz inequality for integral derivatives Aug 14 '17
6 Two-electron integral algorithm May 26 '18
6 Relationship between Hartree-Fock and Hückel coefficients May 31 '18
6 Is the Arrhenius Equation a solution to a differential equation? Aug 17 '17
6 What function is used to graph the potential curve of two hydrogens with parallel spins? Aug 2 '17
6 Gradient of integrals with Obara Saika recurrence scheme Aug 2 '17
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