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Description
The subspace-search variational quantum eigensolver (SSVQE) algorithm is used on various atomic clusters of Be, B and C atoms to find their ground state and 1st excited state energy values. Various approximations such as active space and freeze core have been used to reduce the quantum qubit in the computation. The approximations affect the energy values for quantum mechanically big clusters (C4, B4, etc.)
This work also shows the use of the application of SingleExcitation and Double Excitation to build the ansatz. The final calculated energy values are compared with those calculated by the Hartree-Fock and DFT methods. The findings show that, when the ansatz and optimization are properly customized to the given situation, the SSVQE algorithm can consistently and accurately find both ground and excited state energies. This research highlights SSVQE's potential as a formidable tool for quantum simulations on upcoming quantum technology, providing a mechanism to achieve more accurate and thorough quantum chemistry and material science computations. In this research we are not only calculating the energy values of molecules, but using various error mitigation techniques to show the ability of the existing techniques. Here we are using various methods like ZNE, PEC, TEM, and some more error mitigation techniques. Here we are showing why error mitigation is important till we get useful error correction.
