Related papers: Robust analytic continuation approach to many-body…
We describe an universal method for quantitative continuity analysis of entropic characteristics of energy-constrained quantum systems and channels. It gives asymptotically tight continuity bounds for basic characteristics of quantum…
Broad resonances are a unique phenomenon in nuclear many-body systems. Theoretical studies usually involve the continuum degree of freedom, which drastically increases the model space of calculations, and may lead to non-convergence or…
Complete and physically adequate analytical and semi-analytical solutions have been obtained using a practical dimensionless form of kinetic equation assuming azimuthal symmetry and Maxwellian distributions of target plasma species.…
This paper investigates the influence of the basis set on the GW self-energy correction in the full-potential linearized augmented-plane-wave (LAPW) approach and similar linearized all-electron methods. A systematic improvement is achieved…
By recasting the non-linear frequency-dependent $GW$ quasiparticle equation into a linear eigenvalue problem, we explain the appearance of multiple solutions and unphysical discontinuities in various physical quantities computed within the…
While highly successful, density functional theory is known to have limitations owing to its neglect of many-body electron-electron interactions. This neglect leads to errors in the single-particle energies, leading to underestimated band…
Variational algorithms have particular relevance for near-term quantum computers but require non-trivial parameter optimisations. Here we propose Analytic Descent: Given that the energy landscape must have a certain simple form in the local…
Open system simulations of quantum transport provide a platform for the study of true steady states, Floquet states, and the role of temperature, time-dynamics, and fluctuations, among other physical processes. They are rapidly gaining…
Variational methods have offered controllable and powerful tools for capturing many-body quantum physics for decades. The recent introduction of expressive neural network quantum states has enabled the accurate representation of a broad…
The $GW$ approximation is a well-established method for calculating ionization potentials and electron affinities in solids and molecules. For numerous years, obtaining self-consistent $GW$ total energies in solids has been a challenging…
We present a $GW$ space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density response and the self-energy, while we employ $k$-point sampling…
We present the concept of approximate intermittent computing and demonstrate its application. Intermittent computations stem from the erratic energy patterns caused by energy harvesting: computations unpredictably terminate whenever energy…
This paper presents a new approach for the computation of eigenvalues of the generalized spheroidal wave equations. The novelty of the present method is in the use of the analytical derivatives of the eigenvalues to minimize losses in…
An efficient all-electron G$^0$W$^0$ method and a quasiparticle selfconsistent GW (QSGW) method for molecules are proposed in the molecular orbital space with the full random phase approximation. The convergence with basis set is examined.…
Tomographic reconstruction of the many-body quantum state of a scalable qubit system is of paramount importance in quantum computing technologies. However, conventional approaches which use tomographically orthogonal base measurements…
The evaluation of electrostatic energy for a set of point charges in a periodic lattice is a computationally expensive part of molecular dynamics simulations (and other applications) because of the long-range nature of the Coulomb…
Pseudo-arclength continuation is a well-established method for generating a numerical curve approximating the solution of an underdetermined system of nonlinear equations. It is an inherently sequential predictor-corrector method in which…
The GW approximation in electronic structure theory has become a widespread tool for predicting electronic excitations in chemical compounds and materials. In the realm of theoretical spectroscopy, the GW method provides access to charged…
Based on a previously developed recursive approach for calculating the short-time expansion of the propagator for systems with time-independent potentials and its time-dependent generalization for simple single-particle systems, in this…
Imaginary-time evolution is fundamental for analyzing quantum many-body systems, yet classical simulation requires exponentially growing resources in both system size and evolution time. While quantum approaches reduce the system-size…