What are the challenges of using CI in Nanotechnology?
While CI offers high accuracy, it also comes with significant computational challenges. The number of configurations grows combinatorially with the number of electrons and orbitals, making Full CI impractical for large systems. Approximate methods, such as Truncated CI or Coupled-cluster methods, are often used to balance accuracy and computational feasibility. Additionally, modeling nanostructures requires careful consideration of boundary conditions and quantum confinement effects, which can complicate CI calculations.
