My interests are quantum chemistry, density functional theory, and machine learning.
Top network posts
- 11 Critical difference and roles of Slater- and Gaussian-type orbitals
- 10 External potential in the Hohenberg-Kohn map
- 9 Functional derivative of energy with respect to density
- 8 Is the number of basis functions same in the different atoms in the 6-31G basis set?
- 8 A mapping between effective potential and non-interacting electrons moving on the potential
- 7 Atomエディタで、LaTeX文書中で一度用いた単語を自動補完したい。
- 7 Is the exchange-correlation term in Kohn-Sham equation always positive or negative?
- View more network posts →
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