Implementation
¶
Here we are going to cover the basics of how the different modules of iDEA are implemented.
What’s the big iDEA?
EXT (Exact)
Calculating the ground-state
Time-dependence
One-electron systems
RE (Reverse-Engineering)
Ground-state Kohn-Sham potential
Time-dependent Kohn-Sham potential
LDA (Local Density Approximation)
Calculating the ground-state
Time-dependence
References
HF (Hartree–Fock)
Calculating the ground state
Time-dependence
HYB (Hybrid)
Calculating the ground state
Time-dependence
NON (non-interacting)
Calculating the ground-state
Time-dependence
Using iDEA
Examples
Theory
Implementation
What’s the big iDEA?
EXT (Exact)
RE (Reverse-Engineering)
LDA (Local Density Approximation)
HF (Hartree–Fock)
HYB (Hybrid)
NON (non-interacting)
Developers
API documentation
Quick search