Related papers: Optimized effective potentials from the random-pha…
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly non-local density…
The Quantum Approximate Optimization Algorithm (QAOA) is a general-purpose algorithm for combinatorial optimization problems whose performance can only improve with the number of layers $p$. While QAOA holds promise as an algorithm that can…
This paper proposes a Separable Projective Approximation Routine-Optimal Power Flow (SPAR-OPF) framework for solving two-stage stochastic optimization problems in power systems. The framework utilizes a separable piecewise linear…
We report the successful adaptation of the quasi-boson approximation, a technique traditionally employed in nuclear physics, to the analysis of the two-dimensional electron gas. We show that the correlation energy estimated from this…
By measuring angular-oscillation behavior of the heat capacity with respect to the applied field direction, one can detect the details of the gap structure. We introduce the Kramer-Pesch approximation (KPA) as a new method to analyze the…
The ground state equilibrium properties of copper-gold alloys have been explored with the state of art random phase approximation (RPA). Our estimated lattice constants agree with the experiment within a mean absolute percentage error…
Approaches to compute or estimate the output probability distributions from the quantum approximate optimization algorithm (QAOA) are needed to assess the likelihood it will obtain a quantum computational advantage. We analyze output from…
Most approximate exchange-correlation functionals used within density functional theory are constructed as the sum of two distinct contributions for exchange and correlation. Separating the exchange component from the entire functional is…
Quantum approximate optimization algorithm (QAOA) aims to solve discrete optimization problems by sampling bitstrings using a parameterized quantum circuit. The circuit parameters (angles) are optimized in the way that minimizes the cost…
We explore several random phase approximation (RPA) correlation energy variants within the adiabatic-connection fluctuation-dissipation theorem approach. These variants differ in the way the exchange interactions are treated. One of these…
Due to its significance as a subroutine, in this work, we consider the coherent version of the quantum phase estimation problem, where given an arbitrary input state and black-box access to unitaries $U$ and controlled-$U$, the goal is to…
The coherent potential approximation (CPA) is extended to describe satisfactorily the motion of particles in a random potential which is spatially correlated and smoothly varying. In contrast to existing cluster-CPA methods, the present…
Various orbital-dependent exchange-only potentials are studied which exhibit correct long-range asymptotic behaviour. We present the first application of these potentials for polymers and by one of these potentials for molecules. Kohn-Sham…
Density functional theory (DFT) and beyond-DFT methods are often used in combination with photoelectron spectroscopy to obtain physical insights into the electronic structure of molecules and solids. The Kohn-Sham eigenvalues are not…
We propose a practical method to solve the random-phase approximation (RPA) in the self-consistent Hartree-Fock (HF) and density-functional theory. The method is based on numerical evaluation of the residual interactions utilizing finite…
We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density functional theory (QEDFT). Our…
The Quantum Approximate Optimisation Algorithm is a $p$ layer, time-variable split operator method executed on a quantum processor and driven to convergence by classical outer loop optimisation. The classical co-processor varies individual…
A new implementation of the GW approximation (GWA) based on the all-electron Projector-Augmented-Wave method (PAW) is presented, where the screened Coulomb interaction is computed within the Random Phase Approximation (RPA) instead of the…
We investigate the reliability of transition strengths computed in the random-phase approximation (RPA), comparing with exact results from diagonalization in full $0\hbar\omega$ shell-model spaces. The RPA and shell-model results are in…
The random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. That large short-range error, which tends to cancel out of…