Density Functional Theory (DFT)
DFT is widely used because of its balance between accuracy and computational cost.
👉 DFT basics: Wikipedia
👉 Psi4 docs: DFT in Psi4
DFT is widely used because of its balance between accuracy and computational cost.
👉 DFT basics: Wikipedia
👉 Psi4 docs: DFT in Psi4