Matter Modeling
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Szgoger
  • Member for 1 year, 5 months
  • Last seen more than a week ago
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All Questions Answers
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question
10
Difficulty in interpreting electronic band structures in solid state physics
May 10
answer
6
How to propose reaction mechanism
Jul 1, 2022
question
4
Molecular orbital values on grid points in PySCF?
Jul 20, 2022
question
3
How to get a two-electron expectation value for atoms in PySCF?
Sep 7, 2022
answer
3
Generate grid coordinates from PySCF DFT package for plotting grid points
Jun 30, 2022
question
2
PySCF two-electron integrals between two fragments
Jul 11
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8
I've graduated, my graduate advisor wants to publish a paper with me. How do I tell my advisor I don't want to do free labor?
5
Why is effective nuclear charge said to be decreased down the group, but the Zeff calculated is increased down the groups instead?

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