Computational coding structure
Structure
How to structure a programme (for easier resue, ex in project2):
- Classes: System and Solver
- System:
- Wave functions
- Hamiltonian
- Local energy(E\(_L\))
- Project 1: if possible compute analytical expression for E\(_L\) (Local energy)
- \(E_L (\vec{k}_i \vec{\alpha}) = \frac{1}{\psi_E..}...\)
- Project 1: if possible compute analytical expression for E\(_L\) (Local energy)
- Solver:
- Metropolis sampling (Project 1 & 2)
- Neural networks
- Gradient descent method
- Coupled cluster
- Other many body methods
- System:
