Matter Modeling
Kanghun Kim's user avatar
Kanghun Kim's user avatar
Kanghun Kim's user avatar
Kanghun Kim
  • Member for 1 year, 9 months
  • Last seen more than a week ago
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Mathematics / data science junior, born 2001. <3 math since I was 9 :)

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All Questions Answers
Score Newest
question
7
Is there a sequence/sum of commonly used, closed-form "DFT functional"s that mathematically converges to the exact exchange-correlation potential?
Apr 5, 2022
question
7
Is an "exact" double hybrid density the same as the "exact" DFT density?
Oct 29, 2022
question
6
Basic but fundamental question on the extended Koopman theorem using Dyson orbitals
Oct 5, 2022
question
6
Closed-form expression for excitation energies, given the exact XC functional
Sep 21, 2022
question
5
Choosing between 6-311++G(3df,3pd) and def2-TZVPPD for certain type of diffuse system
Sep 18, 2022
question
5
Do the cc/pc/def2 basis sets mathematically converge to the CBS limit, assuming exact CI/DFT?
Sep 19, 2022
question
5
Question on generalised Kohn-Sham "band gap"
Sep 19, 2022
question
4
Do the orbital energies of ground-state Dyson orbitals exactly capture arbitrary excitation energies and/or ionisation potentials/electron affinities?
Sep 21, 2022
question
4
How to perform a DFT/def2-PPCBS extrapolation on NWChem [closed]
Jul 25, 2022
question
4
Does NWChem support RI approximations in the MP2 part of double hybrids?
Oct 12, 2022
Top network posts
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6
How are the energies of natural atomic orbitals calculated when they are, strictly speaking, not "meaningful" wavefunctions?
6
Why is carbon monoxide non-Brönsted-basic in aqueous solution when it has a lone pair on carbon?
6
Is the set of purely real square matrices, that are complex-diagonalisable, dense in the set of real matrices?
5
Do the electronegativity of atoms affect the molecular geometry of molecules?

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