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density functional theory artinya

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  1. Density functional theory is used to overcome this limitation.
    Teori kuantum gravitasi diperlukan untuk mengatasi batasan ini.
  2. Assigning of the carbon nanotube type was done by a combination of high-resolution transmission electron microscopy (HRTEM), Raman spectroscopy, and density functional theory (DFT) calculations.
    Merupan jenis karbon nanotube yang dilakukan dengan kombinasi mikroskop elektron transmisi beresolusi tinggi (HRTEM), spektroskopi raman, kalkulasi teori kerapatan fungsional (DFT).
  3. The structure of monomeric CrO3 has been calculated using density functional theory, and is predicted to be pyramidal (point group C3v) rather than planar (point group D3h).
    Struktur monomer CrO3 telah dikalkulasi menggunakan teori fungsi rapatan (DFT), dan diprediksi piramidal (kelompok titik C3v) dan bukan planar (kelompok titik D3h).
  4. This challenge has spawned many semi-quantitative or semi-empirical approaches including molecular orbital theory and ligand field theory, In parallel with these theoretical descriptions, approximate methodologies are employed, including density functional theory.
    Tantangan ini telah melahirkan banyak pendekatan semi-kuantitatif atau semi-empiris termasuk teori orbital molekul serta teori medan ligan, Sejalan dengan deskripsi teoretis, metodologi perkiraan dilakukan, seperti teori fungsi rapatan.
  5. In particular, Kohn played the leading role in the development of density functional theory, which made it possible to calculate quantum mechanical electronic structure by equations involving the electronic density (rather than the many-body wavefunction).
    Khususnya, Kohn memainkan perang penting dalam pengembangan teori fungsional kepadatan, yang membuatnya mungkin untuk menggabungkan mekanika kuantum ke dalam kepadatan elektronik (daripada melalui fungsi gelombang).

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