Bottom-up synthesis of Density Functional Theory (DFT)

Bottom-up synthesis of Density Functional Theory (DFT)
From the Born-Oppenheimer approximation to the Kohn & Sham equation.

Disclaimer

The content of this article is based on various internet resources¹. Furthermore, I have attempted to provide a simplified approach to the re-derivation of the equations. Therefore, there may be potential hiccups and mathematicals glichs in some simplifications. Here, I apologize in advance for any mistakes. However, I would welcome any corrections from you.

Blogs
Density Functional Theory
Kohn and Sham
Schrödinger Equation
Born-Oppenheimer Approximation
Hartree-Fock Equation
Electronic Density
Wavefunction

2026-04-13

24 minutes to read

Anouar Akacha Delenda

Bottom-up synthesis of Density Functional Theory (DFT)

Bottom-up synthesis of Density Functional Theory (DFT)From the Born-Oppenheimer approximation to the Kohn & Sham equation.

Bottom-up synthesis of Density Functional Theory (DFT)
From the Born-Oppenheimer approximation to the Kohn & Sham equation.