Similar to FEFF8

Kohn–Sham equations

Eigenmode expansion

Jellium

Time-dependent density functional theory

Periodic boundary conditions

First principle

Method of fundamental solutions

Direct simulation Monte Carlo

Computational electromagnetics

Hartree equations

Hamiltonian Monte Carlo

Semi-empirical quantum chemistry method

Fermi–Pasta–Ulam–Tsingou problem

Physical modelling synthesis

Fragment molecular orbital

Plasma modeling

Molecular modelling

Molecular dynamics