We observe that the ratio of the on-shell scattering amplitude to the Bethe-Salpeter (BS) wave function outside the interaction range is almost independent of time in our quenched calculation of the $I=2$ two-pion scattering with almost zero momentum
. In order to discuss the time independence, we present a relation between the two-pion scattering amplitude and the surface term of the BS wave function at the boundary. Using the relation under some assumptions, we show that the ratio is independent of time if the two-pion four-point function in early time is dominated by scattering states with almost zero momentum in addition to the ground state of the two-pion scattering.
We evaluate scattering amplitudes at on-shell and half off-shell for $I=2$ S-wave two-pion system using the Bethe-Salpeter wave function inside the interaction range in the quenched QCD. The scattering length and effective range are extracted from th
ese scattering amplitudes. Quark mass dependence of them is investigated with the pion mass ranged in $0.52$--$0.86$~GeV. We examine consistency between a result by the conventional finite volume method and our estimate, as well as the phenomenological value.
We discuss an exact relation between the two-particle scattering amplitude and the Bethe-Salpeter (BS) wave function inside the interaction range in quantum field theory. In the relation the reduced BS wave function defined by the BS wave function pl
ays an essential role. Through the relation the on-shell and half off-shell amplitudes can be calculated. We also show that the solution of Schrodinger equation with the effective potential determined from the BS wave function gives a correct on-shell scattering amplitude only at the momentum where the effective potential is determined. Furthermore we discuss a derivative expansion of the reduced BS wave function and a condition to obtain results independent of the interpolating operators in the time-dependent HALQCD method.
The accelerated progress in manufacturing noisy intermediate-scale quantum (NISQ) computing hardware has opened the possibility of exploring its application in transforming approaches to solving computationally challenging problems. The important lim
itations common among all NISQ computing technologies are the absence of error correction and the short coherence time, which limit the computational power of these systems. Shortening the required time of a single run of a quantum algorithm is essential for reducing environment-induced errors and for the efficiency of the computation. We have investigated the ability of a variational version of adiabatic quantum computation (AQC) to generate an accurate state more efficiently compared to existing adiabatic methods. The standard AQC method uses a time-dependent Hamiltonian, connecting the initial Hamiltonian with the final Hamiltonian. In the current approach, a navigator Hamiltonian is introduced which has a non-zero amplitude only in the middle of the annealing process. Both the initial and navigator Hamiltonians are determined using variational methods. A hermitian cluster operator, inspired by coupled-cluster theory and truncated to single and double excitations/de-excitations, is used as a navigator Hamiltonian. A comparative study of our variational algorithm (VanQver) with that of standard AQC, starting with a Hartree--Fock Hamiltonian, is presented. The results indicate that the introduction of the navigator Hamiltonian significantly improves the annealing time required to achieve chemical accuracy by two to three orders of magnitude. The efficiency of the method is demonstrated in the ground-state energy estimation of molecular systems, namely, H$_2$, P4, and LiH.
We reemphasize the momentum dependence of the coefficients of the derivative expansion as already explained in our paper [1]. We also discuss how the momentum dependence plagues the time-dependent HALQCD method and what is a necessary condition for t
he method to yield valid results being independent of the choice of the interpolating operators.
With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition (PD) techni
ques in quantum chemistry. Specifically, we use PD techniques to decompose a target molecular system into smaller subsystems requiring fewer computational resources. In our framework, there are two levels of hybridization. At the first level, we use a classical algorithm to decompose a target molecule into subsystems, and utilize a quantum algorithm to simulate the quantum nature of the subsystems. The second level is in the quantum algorithm. We consider the quantum--classical variational algorithm that iterates between an expectation estimation using a quantum device and a parameter optimization using a classical device. We investigate three popular PD techniques for our hybrid approach: the fragment molecular-orbital (FMO) method, the divide-and-conquer (DC) technique, and the density matrix embedding theory (DMET). We examine the efficacy of these techniques in correctly differentiating conformations of simple alkane molecules. In particular, we consider the ratio between the number of qubits for PD and that of the full system; the mean absolute deviation; and the Pearson correlation coefficient and Spearmans rank correlation coefficient. Sampling error is introduced when expectation values are measured on the quantum device. Therefore, we study how this error affects the predictive performance of PD techniques. The present study is our first step to opening up the possibility of using quantum chemistry simulations at a scale close to the size of molecules relevant to industry on near-term quantum hardware.
We propose a method to calculate scattering amplitudes using the Bethe-Salpeter wave function inside the interaction range on the lattice. For an exploratory study of this method, we evaluate a scattering length of $I=2$ S-wave two pions by the use o
f the on-shell scattering amplitude. Our result is confirmed to be consistent with the value obtained from the conventional finite volume method. The half-off-shell scattering amplitude is also evaluated.
We investigate a systematic error coming from higher excited state contributions in the energy shift of light nucleus in the two-nucleon channel by comparing two different source calculations with the exponential and wall sources. Since it is hard to
obtain a clear signal of the wall source correlation function in a plateau region, we employ a large quark mass as the pion mass is 0.8 GeV in quenched QCD. We discuss the systematic error in the spin-triplet channel of the two-nucleon system, and the volume dependence of the energy shift.
We reexamine the relations between the Bethe-Salpeter (BS) wave function of two particles, the on-shell scattering amplitude, and the effective potential in quantum filed theory. It is emphasized that there is an exact relation between the BS wave fu
nction inside the interaction range and the scattering amplitude, and the reduced BS wave function, which is defined in this article, plays an essential role in this relation. Based on the exact relation, we show that the solution of Schrodinger equation with the effective potential gives us a correct on-shell scattering amplitude only at the momentum where the effective potential is calculated, while wrong results are obtained from the Schrodinger equation at general momenta. We also discuss about a momentum expansion of the reduced BS wave function and an uncertainty of the scattering amplitude stemming from the choice of the interpolating operator in the BS wave function. The theoretical conclusion obtained in this article could give hints to understand the inconsistency observed in lattice QCD calculation of the two-nucleon channels with different approaches.
Recently it is claimed that there is a significant systematic error from excited state contributions in the nucleus correlation functions by comparing with calculations using the exponential and wall source operators. However, the wall source result
is obtained in much earlier time than the plateau region. In order to investigate the systematic error in the plateau region, we calculate the correlation functions with both the operators in quenched QCD at 0.8 GeV pion mass and in $N_f=2+1$ QCD at 0.7 GeV pion mass in high accuracy. In this report we present preliminary results of those calculations, and show that the energy shift obtained from the two sources agree with each other, if those are determined from a region, where both the nucleon and two-nucleon correlation functions have plateaus.
