pytenet.thc.THCSpinMolecularHamiltonian¶

class pytenet.thc.THCSpinMolecularHamiltonian(tkin, thc_kernel, thc_transform)[source]¶

Tensor hypercontraction (THC) representation of a molecular Hamiltonian, assuming a spin orbital basis.

Methods

`__init__`(tkin, thc_kernel, thc_transform)
`to_matrix`([sparse_format])	Generate the matrix representation of the Hamiltonian on the full Hilbert space.

Attributes

`nsites`	Number of lattice sites.
`thc_rank`	Tensor hypercontraction rank (dimension of the kernel).