Related papers: Compactifying the Electronic Wavefunction II: Quan…
The quantum geometric properties of typical diamond-type (C, Si, Ge) and zincblende-type (GaAs, InP, etc) semiconductors are investigated by means of the $sp^{3}s^{\ast}$ tight-binding model, which allows to calculate the quantum metric of…
We propose a general quantum circuit based on the swap test for measuring the quantity $\langle \psi_1 | A | \psi_2 \rangle$ of an arbitrary operator $A$ with respect to two quantum states $|\psi_{1,2}\rangle$. This quantity is frequently…
Variational quantum algorithms are considered one of the most promising methods for obtaining near-term quantum advantages; however, most of these algorithms are only expressed in the conventional quantum circuit scheme. The roadblock to…
We present and assess a Bayesian method to interpret gravitational wave signals from binary black holes. Our method directly compares gravitational wave data to numerical relativity simulations. This procedure bypasses approximations used…
We study the convergence properties of our implementation of the 'moving punctures' approach at very high resolutions for an equal-mass, non-spinning, black-hole binary. We find convergence of the Hamiltonian constraint on the horizons and…
Hybrid continuous-variable (CV)-discrete-variable (DV) quantum systems present a promising direction for quantum computing by combining the high dimensional encoding capabilities of qumodes with the control offered by DV qubits on the…
Standard approaches to quantum computing require significant overhead to correct for errors. The hardware size for conventional quantum processors in solids often increases linearly with the number of physical qubits, such as for transmon…
Variables adapted to the quantum dynamics of spherically symmetric models are introduced, which further simplify the spherically symmetric volume operator and allow an explicit computation of all matrix elements of the Euclidean and…
The performance of quantum algorithms for eigenvalue problems, such as computing Hamiltonian spectra, depends strongly on the overlap of the initial wavefunction and the target eigenvector. In a basis of Slater determinants, the…
We present a formulation and implementation of second-order quasidegenerate N-electron valence perturbation theory (QDNEVPT2) that provides a balanced and accurate description of spin-orbit coupling and dynamic correlation effects in…
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…
Uncertainty quantification based on generalized polynomial chaos has been used in many applications. It has also achieved great success in variation-aware design automation. However, almost all existing techniques assume that the parameters…
H\"uckel molecular orbital (HMO) theory provides a semi-empirical treatment of the electronic structure in conjugated {\pi}-electronic systems. A scalable system-agnostic execution of HMO theory on a quantum computer is reported here based…
Quantum computing is a promising approach to harnessing strong correlation in molecular systems; however, current devices only allow for hybrid quantum-classical algorithms with a shallow circuit depth, such as the variational quantum…
Detection of a gravitational-wave stochastic background via ground or space-based gravitational-wave detectors requires the cross-correlation of the response of two or more independent detectors. The cross-correlation involves a…
Efficient sampling from ensembles of Hamiltonian cycles is critical for predicting the thermodynamic properties of compact polymers, with applications including modeling protein and RNA folding and designing soft materials. Although…
A system of two coupled quantum harmonic oscillators with the Hamiltonian ${\hat H}=\frac{1}{2}\left(\frac{1}{m_1}{\hat p}^{2}_1 + \frac{1}{m_2}{\hat p}^{2}_2+A x^2_1+B x^2_2+ C x_1 x_2\right)$ can be found in many applications of quantum…
Accurate wave-function descriptions of pristine and defected solids remain challenging due to the simultaneous presence of finite-size, basis-set, and correlation errors. While embedding techniques alleviate finite-size effects and…
With the development of quantum technology, hybrid devices that combine superconductors (S) and semiconductors (Sm) have attracted great attention due to the possibility of engineering structures that benefit from the integration of the…
We develop a coordinate invariant formalism which describes the mechanical and electromagnetic interaction of gravitational waves (GWs) with a wide class of resonant detectors. We solve the GW-modified equations of electrodynamics and…