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Variational quantum eigensolver (VQE) for electronic structure calculationsis believed to be one major potential application of near term quantumcomputing. Among all proposed VQE algorithms, the unitary coupled clustersingles and doubles excitations (UCCSD) VQE ansatz has achieved high accuracyand received a lot of research interest. However, the UCCSD VQE based onfermionic excitations needs extra terms for the parity when using Jordan-Wignertransformation. Here we introduce a new VQE ansatz based on the particlepreserving exchange gate to achieve qubit excitations. The proposed VQE ansatzhas gate complexity up-bounded to $O(n^4)$ where $n$ is the number of qubits ofthe Hamiltonian. Numerical results of simple molecular systems such as BeH$_2$,H$_2$O, N$_2$, H$_4$ and H$_6$ using the proposed VQE ansatz gives veryaccurate results within errors about $10^{-3}$ Hartree.

Qubit coupled cluster singles and doubles variational quantum eigensolver ansatz for electronic structure calculations