相关论文: Global and local approaches to population analysis…

We present a systematic technique for constructing the Lorentz-covariant structures of hadronic matrix elements of local operators. The spinor Young tableaux of the Lorentz group is employed to construct all possible structures for the…

In the present study we generalize the self-consistent Hartree-Fock-Bogoliubov (HFB) theory formulated in the coordinate space to the case which incorporates an arbitrary mixing between protons and neutrons in the particle-hole (p-h) and…

The application of relativistic constituent quark models to the evaluation of the electromagnetic properties of the nucleon and its resonances is addressed. The role of the pair creation process in the Feynmann triangle diagram is discussed…

A novel Thomas-Fermi (TF) approach to inhomogeneous superfluid Fermi-systems is presented and shown that it works well also in cases where the Local Density Approximation (LDA) breaks down. The novelty lies in the fact that the…

Achieving long-range ferrimagnetic order in purely organic systems remains a major challenge in molecular magnetism. Here we report the synthesis and characterization of heterospin-coupling motifs, formed by covalently linking spin-1/2 and…

The theoretical formalism of the local density approximation (LDA) to density functional theory (DFT) has been used to study the electronic and geometric structures of SimCn (1<=m, n<=4;n<=m) clusters. An all electron 6-311++G** basis set…

We search for new superhard B-N-O compounds with an iterative machine learning (ML) procedure, where ML models are trained using sample crystal structures from evolutionary algorithm. We first use cohesive energy to evaluate the…

Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…

Effective Lagrangians suitable for a relativistic Hartree-Fock description of nuclear systems are presented. They include the 4 effective mesons $\sigma, \omega, \rho$ and $\pi$ with density-dependent meson-nucleon couplings. The criteria…

We present a study of neutron-capture element abundances (Sr, Y, Zr, Ba, La, Ce, Nd, Pr, and Eu) in a large and homogeneous sample of 160 F-, G-, and K-type planet-host stars located in the northern hemisphere, including 32 stars in…

Understanding how atmospheric molecular clusters form and grow is key to resolving one of the biggest uncertainties in climate modelling: the formation of new aerosol particles. While quantum chemistry offers accurate insights into these…

Exact density-functional theory is reconstructed here from its convex variational structure as two parallel exact ensemble hierarchies: an interacting hierarchy rooted in Lieb's ensemble formulation and a noninteracting hierarchy rooted in…

Much of our understanding of complex structures is based on simplification: for example, metal-organic frameworks are often discussed in the context of "nodes" and "linkers", allowing for a qualitative comparison with simpler inorganic…

The generalized density matrix (GDM) method is used to calculate microscopically the parameters of the collective Hamiltonian. Higher order anharmonicities are obtained consistently with the lowest order results, the mean field…

The study of ultracold atomic Fermi gases is a rapidly exploding subject which is defining new directions in condensed matter and atomic physics. Quite generally what makes these gases so important is their remarkable tunability and…

Recently, persistent homology has had tremendous success in biomolecular data analysis. It works by examining the topological relationship or connectivity of a group of atoms in a molecule at a variety of scales, then rendering a family of…

Scalar, baryon and vector--current densities in coordinate and momentum space are calculated within a relativistic mean--field model. The role of the low components of the bound nucleon wave function is investigated in detail for different…

In Fermionic Molecular Dynamics antisymmetrized products of Gaussian wave packets are projected on angular momentum, linear momentum, and parity. An appropriately chosen set of these states span the many-body Hilbert space in which the…

We present results from a comprehensive lensing analysis in HST data, of the complete CLASH cluster sample. We identify new multiple-images previously undiscovered allowing improved or first constraints on the cluster inner mass…

The full potential all electron linearized augmented plane wave plus local orbitals (FP-LAPW + lo) method, as implemented in the suite of software WIEN2K, has been used to systematically investigate the structural, electronic, and magnetic…