Related papers: A new and efficient implementation of CC3
Single photons, manipulated using integrated linear optics, constitute a promising platform for universal quantum computation. A series of increasingly efficient proposals have shown linear-optical quantum computing to be formally scalable.…
We present a new Fortran code to calculate the scalar one-loop four-point integral with complex internal masses, based on the method of 't Hooft and Veltman. The code is applicable when the external momenta fulfill a certain physical…
We carried out calculations of the energies, hyperfine structure constants and electric-dipole transiton amplitudes for the low-lying states of Ba+ in the framework of the relativistic linearized coupled-cluster single double (LCCSD) and…
We present a quantum algorithm for simulating quantum chemistry with gate complexity $\tilde{O}(N^{1/3} \eta^{8/3})$ where $\eta$ is the number of electrons and $N$ is the number of plane wave orbitals. In comparison, the most efficient…
In literature, the cost of a partitioned fluid-structure interaction scheme is typically assessed by the number of coupling iterations required per time step, while ignoring the internal iterations within the nonlinear subproblems. In this…
Quantum Phase Estimation (QPE) is a cornerstone algorithm for fault-tolerant quantum computation, especially for electronic structure calculations of chemical systems. To accommodate the diverse characteristics of quantum chemical systems,…
We extend previous studies of the deuteron and triton ground-state energies to next-to-next-to-leading order (N$^2$LO) in chiral effective field theory, employing a power counting in which subleading interactions are treated perturbatively.…
Quantum fluctuations of the charge in the single electron box are investigated. Based on a diagrammatic expansion we calculate the average island charge number and the effective charging energy in third order in the tunneling conductance.…
We have implemented an all-particle multireference Fock-space relativistic coupled-cluster theory to probe $6s^2{\;^1}S_{0} - 6s6p{\;^3P^o_{0}}$ clock transition in an even isotope of Pb$^{2+}$. We have computed, excitation energy for…
In this paper, we propose an orbital iteration based parallel approach for electronic structure calculations. This approach is based on our understanding of the single-particle equations of independent particles that move in an effective…
Simulations of laser-induced electron dynamics in a molecular system are performed using time-dependent (TD) equation-of-motion (EOM) coupled-cluster (CC) theory. The target system has been chosen to highlight potential shortcomings of…
Many quantum algorithms rely on a quality initial state for optimal performance. Preparing an initial state for specific applications can considerably reduce the cost of probabilistic algorithms such as the well studied quantum phase…
In this paper we extend the rank-reduced coupled-cluster formalism to the calculation of non-iterative energy corrections due to quadruple excitations. There are two major components of the proposed formalism. The first is an approximate…
We propose to use wavefunction overlaps obtained from a quantum computer as inputs for the classical split-amplitude techniques, tailored and externally corrected coupled cluster, to achieve balanced treatment of static and dynamic…
In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…
A semi-quantitative cluster approach is developed to describe the charge transfer (CT) electron-hole excitations in insulating cuprates in a rather wide energy range up to 10- 15 eV. It generalizes the Zhang-Ng (ZN) model of CT excitons by…
We study how heralded qubit losses during the preparation of a two-dimensional cluster state, a universal resource state for one-way quantum computation, affect its computational power. Above the percolation threshold we present a…
As computer simulations continue to grow in size and complexity, they present a particularly challenging class of big data problems. Many application areas are moving toward exascale computing systems, systems that perform $10^{18}$ FLOPS…
We propose a scalable approach to building cluster states of matter qubits using coherent states of light. Recent work on the subject relies on the use of single photonic qubits in the measurement process. These schemes can be made robust…
Recently, several similar protocols[J. Opt. B 4 (2002) 380; Phys. Lett. A 316 (2003) 159; Phys. Lett. A 355 (2006) 285; Phys. Lett. A 336 (2005) 317] for remotely preparing a class of multi-qubit states (i.e, $\alpha|0 ... 0>+\beta|1...…