相关论文: Realizable hyperuniform and nonhyperuniform partic…
Efficient heuristics have predicted many functional materials such as high-temperature superconducting hydrides, while inorganic structural chemistry explains why and how the crystal structures are stabilized. Here we develop the paired…
A precise study within variational approach of the basic properties of the three-particle spectrum and structure functions with Gaussian potential near the critical coupling constant of interaction where the Efimov effect takes place is…
Scientists use mathematical modelling to understand and predict the properties of complex physical systems. In highly parameterised models there often exist relationships between parameters over which model predictions are identical, or…
The workflow satisfiability problem is concerned with determining whether it is possible to find an allocation of authorized users to the steps in a workflow in such a way that all constraints are satisfied. The problem is NP-hard in…
The bicategory of parameterized spectra has a remarkably rich structure. In particular, it is possible to take traces in this bicategory, which give classical invariants that count fixed points. We can also take equivariant traces, which…
We address the problem of statically checking safety properties (such as assertions or deadlocks) for parameterized phaser programs. Phasers embody a non-trivial and modern synchronization construct used to orchestrate executions of…
The problem of pairing in the $^{1}$S$_{0}$ channel of finite nuclei is revisited. In nuclear matter forces of separable form can be adjusted to the bare nuclear force, to any phenomenological pairing interaction such as the Gogny force or…
A simple comparison between the exact and approximate correlation components U of the electron-electron repulsion energy of several states of few-electron harmonium atoms with varying confinement strengths provides a superior validation…
The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the…
Disordered proteins and nucleic acids play key roles in cellular function and disease. Here we review recent advances in the computational exploration of the conformational dynamics of flexible biomolecules. We focus on hierarchical chain…
The ability to quantify distinctness of a cluster structure is fundamental for certain simulation studies, in particular for those comparing performance of different classification algorithms. The intrinsic integral measure based on the…
Unitary Coupled Cluster (UCC) theory is a promising variational method for electronic structure calculations, especially for strongly correlated systems and quantum computers. However, its practical application is limited by the steep…
Prediction of pair potential given a typical configuration of an interacting classical system is a difficult inverse problem. There exists no exact result that can predict the potential given the structural information. We demonstrate that…
We study the form factors of local operators of integrable QFT's between states with finite energy density. These states arise, for example, at finite temperature, or from a generalized Gibbs ensemble. We generalize Smirnov's form factor…
This paper concerns the probabilistic evaluation of the effects of actions in the presence of unmeasured variables. We show that the identification of causal effect between a singleton variable X and a set of variables Y can be accomplished…
We investigate the pairing properties of state-of-the-art semilocal coordinate-space and semilocal momentum-space regularized chiral interactions. Specifically, we calculate the pairing gaps in $^3SD_1$ channel of symmetric nuclear matter…
A practical electronic structure method in which a two-body functional is the fundamental variable is constructed. The basic formalism of our method is equivalent to Hartree-Fock density matrix functional theory [M. Levy in {\it Density…
We study the conditions under which the head characters of a finite solvable group, as defined by I. M. Isaacs, behave well with respect to restriction. We also determine the intersection of the kernels of all head characters of the group.…
Characterising causal structure is an activity that is ubiquitous across the sciences. Causal models are representational devices that can be used as oracles for future interventions, to predict how values of some variables will change in…
Hyperuniform states of matter exhibit unusual suppression of density fluctuations at large scales, contrasting sharply with typical disordered configurations. Various types of hyperuniformity emerge in multicomponent disordered systems,…