Related papers: Quadripartite bond length rule applied to two prot…
The geometric measure of entanglement, originated by Shimony and by Barnum and Linden, is determined for a family of tripartite mixed states consisting of aribitrary mixtures of GHZ, W, and inverted-W states. For this family of states,…
Basic 1966 physics of Sakharov, Zeldovich and Nambu updated by QCD with constituent-quark quasiparticles having effective masses fits all masses and magnetic moments of ground state meson and baryons having no more than one strange or heavy…
We investigate triatomic molecules that consist of two ground state atoms and a highly excited Rydberg atom, bound at large internuclear distances of thousands of \AA ngstroms. In the molecular state the Rydberg electron is in a…
The charge state of a molecule governs its physicochemical properties, such as conformation, reactivity and aromaticity, with implications for on-surface synthesis, catalysis, photo conversion and applications in molecular electronics. On…
The concept of basic chemical models is introduced, which is new from the standpoint of the physics of nonideal atomic plasma. This concept is based on the requirement of full conformity of the expression for free energy in the chemical…
We study the validity of Hund's first rule for the spin multiplicity in circular molecules - made of real or artificial atoms such as quantum dots - by considering a perturbative approach in the Coulomb interaction in the extended Hubbard…
Atom-dimer scattering below the three-body break-up threshold is studied for a system of three identical bosons. The atom-dimer scattering length and the energy of the most weakly-bound three-body state are shown to be strongly correlated.…
We experimentally test the recently predicted anisotropic invariance properties of pure three-qubit states, via generation and measurement of polarisation-path entangled three-qubit states. These properties do not require aligned reference…
This paper introduces a new representation method that is mainly based on chemical bonds among atoms in materials. Each chemical bond and its surrounded atoms are considered as a unified unit or a local structure that is expected to reflect…
During the last decades, numerous exotic states which cannot be explained by the conventional quark model have been observed in experiment. Some of them can be understood as two-body hadronic molecules, such as the famous $X(3872)$,…
Three-parametric Lenard-Jones and Morse interatomic potentials are the simplest ones, which that can be used to obtain thermophysical properties of the liquid and solid substances. Upon adjusting the model parameters to real substance…
The band structure and electronic properties in a series of vinylene-linked heterocyclic conducting polymers are investigated using density functional theory (DFT). In order to accurately calculate electronic band gaps, we utilize hybrid…
Combinatorial introduction of heteroatoms in the two-dimensional framework of aromatic hydrocarbons opens up possibilities to design compound libraries exhibiting desirable photovoltaic and photochemical properties. Exhaustive enumeration…
In the quark model, hadrons are dominantly bound states of quark-antiquark pairs (mesons) or three quarks (baryons), but QCD also allows hadronic states to be composed of more quarks bound together. Recently, BESIII, Belle and LHCb have…
Quantum annealers are an alternative approach to quantum computing which make use of the adiabatic theorem to efficiently find the ground state of a physically realizable Hamiltonian. Such devices are currently commercially available and…
We investigate the ground-state properties of weakly repulsive one-dimensional bosons in the presence of an attractive zero-range impurity potential. First, we derive mean-field solutions to the problem on a finite ring for the two…
Molecular bonds can be divided into four primary types: ionic, covalent, van der Waals and hydrogen bonds. At ultralow temperatures a novel binding type emerges paving the way for novel molecules and ultracold chemistry [1,2]. The…
Based on our comprehensive theoretical investigation and known experimental results for small boron clusters, we predict the existence of a novel aromatic inorganic molecule, B12H6. This molecule, which we refer to as borozene, has…
Krueger some years ago proposed a cluster LiBeBCNOF, now called periodane. His ground-state isomer proposal has recently been refined by Bera et al. using DFT. Here, we take the approach of molecules in such a cluster as starting point. We…
Aromatic compounds form an unusual kind of hydrogen bond with water and ammonia molecules, known as the $\pi$-hydrogen bond. In this work, we report ab initio path integral molecular dynamics simulations enhanced by machine-learning…