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Matter Modeling
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DJA
  • Member for 3 years, 5 months
  • Last seen more than 2 years ago
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Top posts
17
Gaussian-type orbitals vs Slater-type orbitals in terms of computational efficiency
Feb 20, 2021
14
Why are Norm-conserving Pseudopotentials considered so important?
Feb 21, 2021
12
What are some of the advantages and disadvantages when using shape consistent pseudopotentials as compared to energy consistent pseduopotentials
Feb 23, 2021
11
Why is it so hard to find the ground state of molecules with d-block or f-block elements?
Aug 19, 2021
6
What is the meaning of energy-consistent and shape-consistent in the context of pseudopotentials?
Feb 20, 2021
6
How to find out the multiplicities of molecules containing d and f block species?
Jul 29, 2021
6
Binary Encounter Bethe model: Why does it overestimate ionisation cross-sections SF6, even though generally it underestimates them for other species [closed]
Aug 5, 2021
2
Determining the geometry of UOx and WOx for (x=1-3)
Aug 19, 2021
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34
Heisenberg Uncertainty Principle Applied to an infinite square well
6
Solid angle relation between sinθ dϕdθ and d(cos(θ))dϕ
5
L'Hospital's rule help