Interactive Algorithm Example

Quantum Chemistry

Interactive Algorithm Component

Hover over the highlighted parts of the algorithm to see descriptions on the right side.

Example: Hartree-Fock SCF Procedure

1. Initialize molecular orbital coefficients C_init
2. Build density matrix: P = 2 * C * C^T density_matrix
3. Construct fock matrix: F = H core + G P fock_matrix
4. Solve generalized eigenvalue problem: F * C = S * C * ε solve_eigenvalue
5. Check convergence: |P_new - P_old| < threshold convergence
6. If not converged, update C and go to step 2 iteration
7. Compute total energy: E = trace(P * H core) + 0.5 * trace(P * G P) energy
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Usage Instructions

To use this component in your pages, you can mark hoverable parts in three ways:

{id} - References a description from the descriptions prop
[id:inline description] - Uses inline description text
<term_id> - References a term definition from the termDefinitions prop

Provide descriptions and term definitions as prop objects:

Terms are styled differently (green with dotted underline) to distinguish them from algorithm step descriptions.