Matter Modeling
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wcw
  • Member for 3 years, 9 months
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19
What are the types of DFT?
Jul 15, 2020
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12
How exact is DFT, really?
Oct 9, 2020
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12
How does libxc calculate the potential of GGA functionals?
Oct 27, 2020
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11
What's the relationship between the first HK theorem and the second HK theorem?
Jan 20, 2021
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10
Benchmarking data for Ewald summation algorithms
Jul 8, 2020
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9
What is the "formula unit surface area"?
Feb 4, 2021
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9
How can we say that the KS equation is describing a noninteracting many-electron system?
Apr 12, 2021
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8
Derivation on correlation function and response functions in polymer physics
Jun 30, 2021
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8
In the PAW-method how does one come up with the most general form for the projector functions?
Jul 7, 2021
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8
Minimum image convention for non-orthorhombic unit cells
Apr 5, 2021
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5
Integral involving two energy Green's functions
5
Integral involving delta functions and vector quantities