相关论文: The principle underlying antiaromaticity

Catalytically active macromolecules are envisioned as key building blocks in development of artificial nanomotors. However, theory and experiments report conflicting findings regarding their dynamics. The lack of consensus is mostly caused…

One of the striking features of particle production at high beam energies is the near equal abundance of matter and antimatter in the central rapidity region. In this paper we study how this symmetry is reached as the beam energy is…

First-principles density functional theory methods are used to investigate the structure, energetics, and vibrational motions of the neutral vacancy defect in diamond. The measured optical absorption spectrum demonstrates that the…

We investigate the heat conduction properties of molecular junctions comprising anharmonic interactions. We find that nonlinear interactions can lead to novel phenomena: it negative differential thermal conductance and heat rectification.…

We study the quantum description of parametric heating in harmonic potentials both nonperturbatively and perturbatively, having in mind atom traps. The first approach establishes an explicit connection between classical and quantum…

We consider a Brownian particle in harmonic confinement of stiffness $k$, in one dimension in the underdamped regime. The whole setup is immersed in a heat bath at temperature $T$. The center of harmonic trap is dragged under any arbitrary…

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…

Symmetry is central to how we classify phases of matter: solids break spatial translations, superfluids break particle-number conservation, and superconductors "break" gauge symmetry. Mixed anomalies involving higher-form symmetries,…

Symmetry is one of the most beautiful yet mysterious concepts in science. In chemical systems, presence of local symmetries at specific fragments often serve as driving forces behind many physicochemical properties, including stability,…

The local current flow through three small aromatic carbon molecules, namely benzene, naphthalene and anthracene, is studied. Applying density functional theory and the non-equilibrium Green's function method for transport, we demonstrate…

We show that Coulomb's law is a universal molecular function. Charge inversion in one atom (handedness or chirality) generates a switch from atom-atom to atom-antiatom systems. this switch reduces the 10 term Hamiltonian for 4-particle…

We compare quantum decoherence in generic regular and chaotic systems that interact with a thermal reservoir via a dipole coupling. Using a time-dependent, self-consistent approximation in the spirit of Hartree, we derive in the high…

The production of antihydrogen by several research groups provides the opportunity to measure the gravitational behaviour of antimatter in the gravitational field of the Earth. The predictions in the literature range from normal attraction…

We present a general formalism for deriving the thermodynamics of ferromagnets consisting of "atoms" carrying an arbitrary irreducible representation of $SU(N)$ and coupled through long-range two-body quadratic interactions. Using this…

We show that a CP-violating interaction induced by a derivative coupling between the running vacuum and a non-conserving baryon current may dynamically break CPT and trigger baryogenesis through an effective chemical potential. By assuming…

The Jahn-Teller effect is a fascinating and ubiquitous phenomenon in modern quantum physics and chemistry. We propose a class of oxides with melilite structure Ba$_2$TGe$_2$O$_7$ (T=V,Ni) where Jahn-Teller distortions are the main…

Within density-functional theory, perturbation theory~(PT) is the state-of-the-art formalism for assessing the response to homogeneous electric fields and the associated material properties, e.g., polarizabilities, dielectric constants, and…

Ab initio quantum chemistry reveals how the charge-antisymmetric antihydrogenic antiHH+ state, deriving from conventional positional antisymmetry of a 3-unit charge system, is hidden in the PEC (potential energy curve) of the molecular…

Antiparticles may be interpreted as ordinary particles travelling backwards in time and the two descriptions are considered equivalent, at least in special relativity and relativistic quantum mechanics. It is suggested that, vice versa, the…

We utilize the generation of large atomic coherence to enhance the resonant nonlinear magneto-optic effect by several orders of magnitude, thereby eliminating power broadening and improving the fundamental signal-to-noise ratio. A…