相关论文: QUANTUM ESPRESSO implementation of the RPA-based f…

Covariant density functional theory, in the framework of self-consistent Relativistic Mean Field (RMF) and Relativistic Random Phase approximation (RPA), is for the first time applied to axially deformed nuclei. The fully self-consistent…

We develop several algorithms for performing quantum phase estimation based on basic measurements and classical post-processing. We present a pedagogical review of quantum phase estimation and simulate the algorithm to numerically determine…

We present a protocol for the fully automated construction of quantum mechanical-(QM)-classical hybrid models by extending our previously reported approach on self-parametrizing system-focused atomistic models (SFAM) J. Chem. Theory Comput.…

Quantum phase estimation (QPE) is a central algorithmic primitive that estimates eigenvalues of a Hamiltonian up to precision $\epsilon$ in Heisenberg-limited time $T=\Theta(1/\epsilon)$. Standard gate-based implementations of QPE require…

The multi-angle Quantum Approximate Optimization Algorithm (ma-QAOA) extends the Quantum Approximate Optimization Algorithm (QAOA) by assigning a larger number of independent variational parameters, thereby increasing expressivity and…

We formulate automated market maker (AMM) \emph{rebalancing} as a binary detection problem and study a hybrid quantum--classical self-attention block, \textbf{Quantum Adaptive Self-Attention (QASA)}. QASA constructs quantum…

Quantum Phase Estimation (QPE) is a cardinal algorithm in quantum computing that plays a crucial role in various applications, including cryptography, molecular simulation, and solving systems of linear equations. However, the standard…

We systematically analyze the recent claim that nonrelativistic and relativistic mean field (RMF) based random phase approximation (RPA) calculations for the centroid energy E_0 of the isoscalar giant monopole resonance yield for the…

Characterizing a system often demands learning its response function to an applied field. Such knowledge is rooted on the experimental evaluation of punctual fiducial response and interpolation to access prediction at arbitrary values.…

We use the random phase approximation (RPA) method with the singles correlation energy contributions to calculate lattice energies of ten molecular solids. While RPA gives too weak binding, underestimating the reference data by $13.7$\% on…

It is well known that within self-consistent Random Phase Approximation (RPA) on top of Hartree-Fock (HF), the translational symmetry should be restored. Due to approximations at the level of the practical implementation, this restoration…

We introduce and employ two QM:QM schemes (a quantum mechanical method embedded into another quantum mechanical method) and report their performance for the X23 set of molecular crystals. We furthermore present the theory to calculate the…

The optimized random phase approximation (ORPA) for classical liquids is re-examined in the framework of the generating functional approach to the integral equations. We show that the two main variants of the approximation correspond to the…

The current state of the art for large-scale quantum-mechanical simulations is the planewave (PW) pseudopotential method, as implemented in codes such as VASP, ABINIT, and many others. However, since the PW method uses a global Fourier…

We study the precision of parameter estimation for dephasing model under squeezed environment. We analytically calculate the dephasing factor $\gamma(t)$ and obtain the analytic quantum Fisher information (QFI) for the amplitude parameter…

Fractional cumulative residual entropy (FCRE) is a powerful tool for the analysis of complex systems. Most of the theoretical results and applications related to the FCRE of the lifetime random variable are based on the distribution…

We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…

In this work, the authors give a new method for phase determination, the Tian pseudo atom method (TPAM) or pseudo atom method (PAM) for short. In this new method, the figure of merit function, Rtian, replaces Rcf in the charge flipping…

Quantum signal processing (QSP) is a powerful quantum algorithm to exactly implement matrix polynomials on quantum computers. Asymptotic analysis of quantum algorithms based on QSP has shown that asymptotically optimal results can in…

The number of measurements demanded by hybrid quantum-classical algorithms such as the variational quantum eigensolver (VQE) is prohibitively high for many problems of practical value. For such problems, realizing quantum advantage will…