pub fn quantum_geometric_tensor_kernel(
eigenvalues: &CausalTensor<f64>,
eigenvectors: &QuantumEigenvector,
velocity_i: &QuantumVelocity,
velocity_j: &QuantumVelocity,
band_n: usize,
regularization: f64,
) -> Result<Complex<f64>, PhysicsError>Expand description
Calculates the Quantum Geometric Tensor (QGT) component $Q_{ij}^n(\mathbf{k})$ for band $n$.
The QGT is a fundamental object in the geometry of quantum states, encapsulating both the distance (metric) and curvature (Berry curvature) in the parameter space (Brillouin zone).
§Physical Model
Uses the sum-over-states (perturbative) formula derived from the Fubini-Study metric (see, e.g., Kang et al., arXiv:2412.17809 for recent experimental applications):
$$ Q_{ij}^n = \sum_{m \neq n} \frac{\langle n | v_i | m \rangle \langle m | v_j | n \rangle}{(E_n - E_m)^2 + \epsilon} $$
where:
- $|n\rangle, |m\rangle$: Eigenstates of the Hamiltonian.
- $v_i = \partial_{k_i} H$: Velocity operator components.
- $E_n, E_m$: Eigenenergies.
§Returns
A complex scalar $Q_{ij}$.
- Real Part: Quantum Metric $g_{ij}$ (Symmetric).
- Imaginary Part: $-\frac{1}{2} \Omega_{ij}$ (Berry Curvature, Antisymmetric).
§Arguments
eigenvalues- Energy eigenvalues $E_n$ (Rank 1 Tensor).eigenvectors- Matrix of eigenstates $U$ (Rank 2 Tensor [basis, states]).velocity_i- Velocity matrix $v_i$ components in the eigenbasis (Rank 2).velocity_j- Velocity matrix $v_j$ components in the eigenbasis (Rank 2).band_n- The target band index $n$.regularization- Small $\epsilon$ parameter to regularize the denominator at band crossing points (degeneracies).
§Errors
DimensionMismatch- If input tensor shapes are inconsistent.