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Register a new userDirect estimation of the energy gap between the ground state and excited state with quantum annealing
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Quantum chemistry is one of the important applications of quantum information technology. Especially, an estimation of the energy gap between a ground state and excited state of a target Hamiltonian corresponding to a molecule is essential. In the previous approach, an energy of the ground state and that of the excited state are estimated separately, and the energy gap can be calculated from the subtraction between them. Here, we propose a direct estimation of the energy gap between the ground state and excited state of the target Hamiltonian with quantum annealing. The key idea is to combine a Ramsey type measurement with the quantum annealing. This provides an oscillating signal with a frequency of the energy gap, and a Fourier transform of the signal let us know the energy gap. Based on typical parameters of superconducting qubits, we numerically investigate the performance of our scheme when we estimate an energy gap between the ground state and first excited state of the Hamiltonian. We show robustness against non-adiabatic transitions between the ground state and first-excited state. Our results pave a new way to estimate the energy gap of the Hamiltonian for quantum chemistry.
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Quantum Krylov subspace diagonalization (QKSD) algorithms provide a low-cost alternative to the conventional quantum phase estimation algorithm for estimating the ground and excited-state energies of a quantum many-body system. While QKSD algorithms have typically relied on using the Hadamard test for estimating Krylov subspace matrix elements of the form, $langle phi_i|e^{-ihat{H}tau}|phi_j rangle$, the associated quantum circuits require an ancilla qubit with controlled multi-qubit gates that can be quite costly for near-term quantum hardware. In this work, we show that a wide class of Hamiltonians relevant to condensed matter physics and quantum chemistry contain symmetries that can be exploited to avoid the use of the Hadamard test. We propose a multi-fidelity estimation protocol that can be used to compute such quantities showing that our approach, when combined with efficient single-fidelity estimation protocols, provides a substantial reduction in circuit depth. In addition, we develop a unified theory of quantum Krylov subspace algorithms and present three new quantum-classical algorithms for the ground and excited-state energy estimation problem, where each new algorithm provides various advantages and disadvantages in terms of total number of calls to the quantum computer, gate depth, classical complexity, and stability of the generalized eigenvalue problem within the Krylov subspace.
Low-energy elastic and inelastic scattering in the Ps(1$s$)-Ps(2$s$) channel is treated in a four-body hyperspherical coordinate calculation. Adiabatic potentials are calculated for triplet-triplet, singlet-singlet, and singlet-triplet spin symmetries in the spin representation of coupled electrons and coupled positrons, with total angular momentum $L=0$ and parity equal to $+1$. The s-wave scattering lengths for the asymptotic Ps(1$s$)-Ps(2$s$) channel are calculated for each spin configuration. Results obtained for the s-wave scattering lengths are $a_{mathrm{TT}}=$~$7.3(2)a_0-i0.02(1)a_0$, $a_{mathrm{SS}}=$~$13.2(2)a_0-i0.9(2)a_0$, and $a_{mathrm{ST}}=$~$9.7(2)a_0$ for each spin configuration. Spin recoupling is implemented to extract the scattering lengths for collisions of Ps in different spin configurations through properly symmetrized unitary transformations. Calculations of experimentally relevant scattering lengths and cross-sections are carried-out for Ps atoms initially prepared in different uncoupled spin states.
The field of quantum Hamiltonian complexity lies at the intersection of quantum many-body physics and computational complexity theory, with deep implications to both fields. The main object of study is the LocalHamiltonian problem, which is concerned with estimating the ground-state energy of a local Hamiltonian and is complete for the class QMA, a quantum generalization of the class NP. A major challenge in the field is to understand the complexity of the LocalHamiltonian problem in more physically natural parameter regimes. One crucial parameter in understanding the ground space of any Hamiltonian in many-body physics is the spectral gap, which is the difference between the smallest two eigenvalues. Despite its importance in quantum many-body physics, the role played by the spectral gap in the complexity of the LocalHamiltonian is less well-understood. In this work, we make progress on this question by considering the precise regime, in which one estimates the ground-state energy to within inverse exponential precision. Computing ground-state energies precisely is a task that is important for quantum chemistry and quantum many-body physics. In the setting of inverse-exponential precision, there is a surprising result that the complexity of LocalHamiltonian is magnified from QMA to PSPACE, the class of problems solvable in polynomial space. We clarify the reason behind this boost in complexity. Specifically, we show that the full complexity of the high precision case only comes about when the spectral gap is exponentially small. As a consequence of the proof techniques developed to show our results, we uncover important implications for the representability and circuit complexity of ground states of local Hamiltonians, the theory of uniqueness of quantum witnesses, and techniques for the amplification of quantum witnesses in the presence of postselection.
We review our earlier studies on the order parameter distribution of the quantum Sherrington-Kirkpatrick (SK) model. Through Monte Carlo technique, we investigate the behavior of the order parameter distribution at finite temperatures. The zero temperature study of the spin glass order parameter distribution is made by the exact diagonalization method. We find in low-temperature (high-transverse-field) spin glass region, the tail (extended up to zero value of order parameter) and width of the order parameter distribution become zero in thermodynamic limit. Such observations clearly suggest the existence of a low-temperature (high-transverse-field) ergodic region. We also find in high-temperature (low-transverse-field) spin glass phase the order parameter distribution has nonzero value for all values of the order parameter even in infinite system size limit, which essentially indicates the nonergodic behavior of the system. We study the annealing dynamics by the paths which pass through both ergodic and nonergodic spin glass regions. We find the average annealing time becomes system size independent for the paths which pass through the quantum-fluctuation-dominated ergodic spin glass region. In contrast to that, the annealing time becomes strongly system size dependent for annealing down through the classical-fluctuation-dominated nonergodic spin glass region. We investigate the behavior of the spin autocorrelation in the spin glass phase. We observe that the decay rate of autocorrelation towards its equilibrium value is much faster in the ergodic region with respect to the nonergodic region of the spin glass phase.
We present a systematic study of the first excited-state population in a 3D transmon qubit mounted in a dilution refrigerator with a variable temperature. Using a modified version of the protocol developed by Geerlings et al. [1], we observe the excited-state population to be consistent with a Maxwell-Boltzmann distribution, i.e., a qubit in thermal equilibrium with the refrigerator, over the temperature range 35-150 mK. Below 35 mK, the excited-state population saturates to 0.1%, near the resolution of our measurement. We verified this result using a flux qubit with ten-times stronger coupling to its readout resonator. We conclude that these qubits have effective temperature T_{eff} = 35 mK. Assuming T_{eff} is due solely to hot quasiparticles, the inferred qubit lifetime is 108 us and in plausible agreement with the measured 80 us.
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