Related papers: Natural orbitals for many-body expansion methods
The projection of the eigenfunctions obtained in standard plane-wave first-principle electronic-structure calculations into atomic-orbital basis sets is proposed as a formal and practical link between the methods based on plane waves and…
By introducing simple topological constraints and applying a binary decomposition method, we show the existence of a set of prograde double-double orbits for any rotation angle $\theta \in (0, \pi/7]$ in the equal-mass four-body problem. A…
\textbf{Background} The reach of \textit{ab initio} theory has greatly increased in recent decades. However, predicting the location of the drip lines remains challenging due to uncertainties in nuclear forces and difficulties in describing…
The dual-kinetic-balance (DKB) finite basis set method for solving the Dirac equation for hydrogen-like ions [V. M. Shabaev et al., Phys. Rev. Lett. 93, 130405 (2004)] is extended to problems with a non-local spherically-symmetric…
In the past few years in-medium similarity renormalization group methods have been introduced and developed. In these methods the Hamiltonian is evolved using a unitary transformation in order to decouple a reference state from the rest of…
Molecular simulation technologies have afforded researchers a unique look into the nanoscale interactions driving physical processes. However, a limitation for molecular dynamics (MD) simulations is that they must be performed on…
Two numerical algorithms for analyzing planar central and balanced configurations in the $(n+1)$-body problem with a small mass are presented. The first one relies on a direct solution method of the $(n+1)$-body problem by using a…
We study orbit-finite systems of linear equations, in the setting of sets with atoms. Our principal contribution is a decision procedure for solvability of such systems. The procedure works for every field (and even commutative ring) under…
The nuclear shell model has been perhaps the most important conceptual and computational paradigm for the understanding of the structure of atomic nuclei. While the shell model has been predominantly used in a phenomenological context,…
We present a structured force reformulation of the many-body dispersion (MBD) model that enables a physically consistent decomposition of forces into pairwise components. By introducing a many-body correlation matrix that scales…
The natural and Dyson orbitals are studied for small helium drops comprising 5 to 20 helium atoms interacting via a soft two-body gaussian potential. The wave functions of these drops have been obtained in the hyperspherical cluster model…
The challenging nuclear many-body problem is discussed along with classifications and qualitative descriptions of existing methods and models. We present detailed derivations of a new method where cluster correlations co-exist with an…
Extrasolar planetary systems commonly exhibit planets on eccentric orbits, with many systems located near or within mean-motion resonances, showcasing a wide diversity of orbital architectures. Such complex systems challenge traditional…
Various many-body models are treated, which describe $N$ points confined to move on a plane circle. Their Newtonian equations of motion ("accelerations equal forces") are integrable, i. e. they allow the explicit exhibition of $N$ constants…
Recent developments of experimental techniques in the field of ultra-cold gases open a path to study the crossover from 'few' to 'many' on the quantum level. In this case, accurate description of inter-particle correlations is very…
We introduce a numerically exact real-time evolution scheme for quantum impurities in a macroscopically large bath. The algorithm is few-body revealing, namely it identifies the electronic orbitals that can be made inactive (in a trivial…
By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…
We present a new adaptive method for electronic structure calculations based on novel fast algorithms for reduction of multivariate mixtures. In our calculations, spatial orbitals are maintained as Gaussian mixtures whose terms are selected…
We study the dynamics of the collinear points in the planar, restricted three-body problem, assuming that the primaries move on an elliptic orbit around a common barycenter. The equations of motion can be conveniently written in a rotating…
We first discuss two-body and chain regularization methods for direct N-body simulations on HARP-2 and GRAPE-6. The former is used for accurate integration of perturbed binaries and hierarchies, whereas the latter deals with strong…