Matter Modeling
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wzkchem5
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About

Zikuan Wang

Postdoctoral researcher @ Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany

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All Questions Answers
Score Newest
answer
24
Do we know for sure that all atomic and molecular wavefunctions decay exponentially as r goes to infinity?
Jan 24, 2022
answer
19
Choice of coordinate system for geometry optimization
May 22, 2021
answer
17
Is it right to neglect very small imaginary frequencies?
Feb 12, 2022
answer
16
How do we know how much computational power is required for a particular calculation?
Jun 5, 2021
answer
15
Keesom and Debye forces in DFT
Jun 21, 2021
answer
15
What does machine learning learn about DFT?
Aug 5, 2022
answer
14
Why is my ORCA calculation of nitrogen iodide failing?
Jul 4, 2021
answer
14
What is the minimum basis set one should use?
Sep 22, 2021
answer
14
What are the physical reasons if the SCF doesn't converge?
Feb 4, 2022
answer
14
How reactivity of a organic molecule depends upon HOMO and LUMO
Nov 27, 2021

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