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mindquantum.algorithm.nisq.uccsd_singlet_get_packed_amplitudes

mindquantum.algorithm.nisq.uccsd_singlet_get_packed_amplitudes(single_amplitudes, double_amplitudes, n_qubits, n_electrons)

Convert amplitudes for use with singlet UCCSD.

The output list contains only those amplitudes that are relevant to singlet UCCSD, in an order suitable for use with the function uccsd_singlet_generator.

Parameters

• single_amplitudes (numpy.ndarray) – $N\times N$ array storing single excitation amplitudes corresponding to $t_{i,j}\ast (a_i^{†}{a}_j-\text{H.C.})$.

• double_amplitudes (numpy.ndarray) – $N\times N\times N\times N$ array storing double excitation amplitudes corresponding to $t_{i,j,k,l}\ast (a_i^{†}{a}_j{a}_k^{†}{a}_l-\text{H.C.})$.

• n_qubits (int) – Number of spin-orbitals used to represent the system, which also corresponds to number of qubits in a non-compact map.

• n_electrons (int) – Number of electrons in the physical system.

Returns

ParameterResolver, List storing the unique single and double excitation amplitudes for a singlet UCCSD operator. The ordering lists unique single excitations before double excitations.

Examples

>>> import numpy as np
>>> from mindquantum.algorithm.nisq.chem import uccsd_singlet_get_packed_amplitudes
>>> n_qubits, n_electrons = 4, 2
>>> np.random.seed(42)
>>> ccsd_single_amps = np.random.random((4, 4))
>>> ccsd_double_amps = np.random.random((4, 4, 4, 4))
>>> uccsd_singlet_get_packed_amplitudes(ccsd_single_amps, ccsd_double_amps,
...                                     n_qubits, n_electrons)
{'d1_0': 0.76162, 's_0': 0.601115}, const: 0