相关论文: A Jastrow-type decomposition in quantum chemistry …

Development of resource-friendly quantum algorithms remains highly desirable for noisy intermediate-scale quantum computing. Based on the variational quantum eigensolver (VQE) with unitary coupled cluster ansatz, we demonstrate that…

The discretized Poisson equation matrix (DPEM) in 1D has been shown to require an exponentially large number of terms when decomposed in the Pauli basis when solving numerical linear algebra problems on a quantum computer. Additionally,…

Several linear algebra routines for quantum computing use a basis of tensor products of identity and Pauli operators to describe linear operators, and obtaining the coordinates for any given linear operator from its matrix representation…

It was noticed many years ago, in the framework of massless RG flows, that the irrelevant composite operator $T \bar{T}$, built with the components of the energy-momentum tensor, enjoys very special properties in 2D quantum field theories,…

Quantum simulation has begun to penetrate the field of quantum chemistry in hopes of efficiently calculating ground state energies and approximating real-time evolution. With modern research highlighting nonadiabatic dynamics, tunably…

Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…

Exponential operator decompositions are an important tool in many fields of physics, for example, in quantum control, quantum computation, or condensed matter physics. In this work, we present a method for obtaining such decompositions,…

Quantum-selected configuration interaction (QSCI) is a promising hybrid quantum-classical approach in which a quantum device generates configurations for subsequent classical diagonalization. Here, we analyze the performance of QSCI…

We show how to use the Bern-Kosower master formula, originally a generating functional for on-shell gluon matrix elements, to derive well-organized form factor decompositions of the off-shell one-particle-irreducible N - gluon vertices. Two…

We develop and analyze a fault-tolerant quantum algorithm for computing $n$-th order response properties necessary for analysis of non-linear spectroscopies of molecular and condensed phase systems. We use a semi-classical description in…

Significant advances have been made in the study of quantum advantage both in theory and experiment, although these have mostly been limited to artificial setups. In this work, we extend the scope to address quantum advantage in tasks…

The complexity of the standard hierarchy of quantum chemistry methods is not invariant to the choice of representation. This work explores how the scaling of common quantum chemistry methods can be reduced using real-space, momentum-space,…

The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenvalues and eigenvectors of a given Hamiltonian on noisy intermediate-scale quantum (NISQ) devices. A particular application is to obtain ground…

We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…

We show that the Zassenhaus decomposition for the exponential of the sum of two non-commuting operators, simplifies drastically when these operators satisfy a simple condition, called the no-mixed adjoint property. An important application…

In quantum computing, the efficient optimization of Pauli string decompositions is a crucial aspect for the compilation of quantum circuits for many applications, such as chemistry simulations and quantum machine learning. In this paper, we…

We present an efficient method for construction of a fully anti-commutative set of Pauli generators (elements of the Pauli group) from a commutative set of operators that are composed exclusively from Pauli $\hat x_i$ operators (purely X…

We describe quantum circuits with only $\widetilde{\cal O}(N)$ Toffoli complexity that block encode the spectra of quantum chemistry Hamiltonians in a basis of $N$ arbitrary (e.g., molecular) orbitals. With ${\cal O}(\lambda / \epsilon)$…

We present a general method which expresses a unitary operator by the product of operators allowed by the Hamiltonian of spin-1/2 systems. In this method, the generator of an operator is found first, and then the generator is expanded by…

The previously proposed ansatz for density cumulant theory that combines orbital-optimization and a parameterization of the 2-electron reduced density matrix cumulant in terms of unitary coupled cluster amplitudes (OUDCT) is carefully…