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Evaluating energy differences on a quantum computer with robust phase estimation.

Antonio Russo, Kenneth Rudinger, Benjamin Morrison, Andrew Baczewski

Published Mar 1, 2021• 3 citations
Publisher
DOI
10.2172/1855915

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Theory of quantum measurement of energy : Quantum algorithm and its evaluation

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According to the axioms of quantum mechanics, there exists a quantum measurement corresponding to each observable.Energy is one of such observables, and the operator of the energy is called Hamiltonian.The Hamiltonian specifies the dynamics of closed quantum systems and it also characterizes the property of the equilibrium state in contact with a heat bath.Therefore the energy is an essential quantity in quantum mechanics, which characterizes behavior of a quantum system.On the other hand, since the Hamiltonian is not a local observable in general, a concrete construction of how to apply the quantum measurement of energy is not trivial.Thus various measurement models of energies have been proposed, and also discussions have been made on whether the time is a resource to be consumed to increase the precision of energy measurement in connection with the time-energy uncertainty relationship.Constructing a way to implement the energy measurement on an unknown Hamiltonian system is important, since it avoids constructing a new measurement scheme for each new quantum system.On the other hand, among measurements of energy, the projective measurement of energy has useful properties for applications.The projective measurement is a measurement which satisfies the condition so-called repeatable hypothesis that when we measure the state immediately after obtaining an outcome from the same measurement, we obtain the same outcome again.In this thesis, we consider two schemes to implement the projective measurement of energy for an unknown Hamiltonian system.One is a tomography based method, which is a construction suggested in the paper of Aharanov et.al. (2002).The other is the phase estimation based method, which utilizes the Hamiltonian dynamics of the system as a resource for the quantum algorithm, and realizes the projective measurement of energy on the system without identifying all parameters of the Hamiltonian.In this thesis, we assume there is a finite dimensional quantum system (quantum computer) which is able to apply any interaction between the target system and the finite dimensional system although the interaction should not depend on the target system Hamiltonian.To evaluate the performance of the measurements implemented by the two schemes, we formulate two evaluation functions called fluctuation of measurement value and non-repeatability, which can evaluate how much a measurement is different from the ideal projective measurement of an observable.We calculate a sufficient time to guarantee the fluctuation of measurement value below some small value ε, for each of the two measurement schemes.We find that the tomography based method takes the time proportional to O(d 4 ∆ max /ε), while the phase estimation based method takes O(∆ 3 max /ε 2 ), where d is the dimension of the target system and ∆ max is the difference between the largest energy eigenvalue and the smallest energy eigenvalue.We show that the phase estimation based method performs better for large particle systems.

•Mar 24, 2014•0 citations
We adapt the robust phase estimation algorithm to the evaluation of energy differences between two eigenstates using a quantum computer. This approach does not require controlled unitaries between auxiliary and system registers or even a single auxiliary qubit. As a proof of concept, we calculate the energies of the ground state and low-lying electronic excitations of a hydrogen molecule in a minimal basis on a cloud quantum computer. The denominative robustness of our approach is then quantified in terms of a high tolerance to coherent errors in the state preparation and measurement. Conceptually, we note that all quantum phase estimation algorithms ultimately evaluate eigenvalue differences.
Quantum computers can perform full configuration interaction (full-CI) calculations by utilising the quantum phase estimation (QPE) algorithms including Bayesian phase estimation (BPE) and iterative quantum phase estimation (IQPE). In these quantum algorithms, the time evolution of wave functions for atoms and molecules is simulated conditionally with an ancillary qubit as the control, which make implementation to real quantum devices difficult. Also, most of the problems in chemistry discuss energy differences between two electronic states rather than total energies themselves, and thus direct calculations of energy gaps are promising for future applications of quantum computers to real chemistry problems. In the race of finding efficient quantum algorithms to solve quantum chemistry problems, we test a Bayesian phase difference estimation (BPDE) algorithm, which is a general algorithm to calculate the difference of two eigenphases of unitary operators in the several cases of the direct calculations of energy gaps between two electronic states on quantum computers, including vertical ionisation energies, singlet-triplet energy gaps, and vertical excitation energies. In the BPDE algorithm, state preparation is carried out conditionally on the ancillary qubit, and the time evolution of the wave functions in superposition of two electronic states are executed unconditionally. Based on our test, we conclude that BPDE is capable of computing the energy gap with an accuracy similar to BPE without controlled-time evolution simulations and with the smaller number of iterations in Bayesian optimisations.
According to the axioms of quantum mechanics, there exists a quantum measurement corresponding to each observable.Energy is one of such observables, and the operator of the energy is called Hamiltonian.The Hamiltonian specifies the dynamics of closed quantum systems and it also characterizes the property of the equilibrium state in contact with a heat bath.Therefore the energy is an essential quantity in quantum mechanics, which characterizes behavior of a quantum system.On the other hand, since the Hamiltonian is not a local observable in general, a concrete construction of how to apply the quantum measurement of energy is not trivial.Thus various measurement models of energies have been proposed, and also discussions have been made on whether the time is a resource to be consumed to increase the precision of energy measurement in connection with the time-energy uncertainty relationship.Constructing a way to implement the energy measurement on an unknown Hamiltonian system is important, since it avoids constructing a new measurement scheme for each new quantum system.On the other hand, among measurements of energy, the projective measurement of energy has useful properties for applications.The projective measurement is a measurement which satisfies the condition so-called repeatable hypothesis that when we measure the state immediately after obtaining an outcome from the same measurement, we obtain the same outcome again.In this thesis, we consider two schemes to implement the projective measurement of energy for an unknown Hamiltonian system.One is a tomography based method, which is a construction suggested in the paper of Aharanov et.al. (2002).The other is the phase estimation based method, which utilizes the Hamiltonian dynamics of the system as a resource for the quantum algorithm, and realizes the projective measurement of energy on the system without identifying all parameters of the Hamiltonian.In this thesis, we assume there is a finite dimensional quantum system (quantum computer) which is able to apply any interaction between the target system and the finite dimensional system although the interaction should not depend on the target system Hamiltonian.To evaluate the performance of the measurements implemented by the two schemes, we formulate two evaluation functions called fluctuation of measurement value and non-repeatability, which can evaluate how much a measurement is different from the ideal projective measurement of an observable.We calculate a sufficient time to guarantee the fluctuation of measurement value below some small value ε, for each of the two measurement schemes.We find that the tomography based method takes the time proportional to O(d 4 ∆ max /ε), while the phase estimation based method takes O(∆ 3 max /ε 2 ), where d is the dimension of the target system and ∆ max is the difference between the largest energy eigenvalue and the smallest energy eigenvalue.We show that the phase estimation based method performs better for large particle systems.