Related papers: CH-{\pi} interaction-induced deep orbital deformat…
The associative interaction, such as hydrogen bonding, can bring about versatile functionalities to polymer systems, which has been investigated by tremendous researches, but the fundamental understanding on association process is still…
Medium Effects in low-mass dilepton production in ultra-relativistic heavy-ion collisions are investigated using hadronic models. The rescattering of pions and rho mesons within a hot and dense hadron gas leads to substantial modifications…
We investigate the formation and transport properties of chiral Andreev edge states in a two-dimensional quantum Hall system proximitized by a superconductor. By numerically modeling the system using the Bogoliubov-de Gennes equations, we…
Transition metal-phtahalocyanine(Pc) compound, TPP[Fe(Pc)(CN)$_2$]$_2$, which is one of molecular conductors of charge transfer type with 3/4-filled conduction band consisting of LUMO of Pc molecules, shows characteristic features in…
We study theoretically the structure of double pionic atoms, in which two negatively charged pions ($\pi^-$) are bound in the atomic orbits. The double pionic atom is considered to be an interesting system from the point of view of the…
Nonlinear vibrations in strained monoatomic carbon chains are studied with the aid of ab initio methods based on the density functional theory. An unexpected phenomenon of structural transformation at the atomic level above a certain value…
When atoms or molecules exist in the form of stable negative ions, they play a crucial role in the gas phase chemistry. Determining the existence of such an ion, its internal energy and its stability are necessary prerequisites to analyze…
We discuss the ground state of Benzene dianion (Bz$^{2-}$) on the basis of the numerical diagonalization method of an effective model of $\pi$ orbitals. It is found that the ground state can be the spin singlet state, and the exchange…
Through a 2-dimensionnal tight-binding crystal orbital approach and a (CuO2)2 square unit cell of parameter a, we show that a Cu2+/O2- -> Cu+/O- charge transfer is likely to occur at the M($\pi/a$, $\pi/a$) point of the Brillouin zone, for…
We investigate the influence of rotation on the dynamical chiral symmetry breaking in strongly interacting matter. We develop a self-consistent Bogoliubov-de Gennes-like theoretical framework to study the inhomogeneous chiral condensate and…
Tracing the modifications of molecules in surface chemical reactions benefits from the possibility to image their orbitals. While delocalized frontier orbitals with {\pi}-character are imaged routinely with photoemission orbital tomography,…
We study the interaction of a two-level atom and two fields, one of them classical. We obtain an effective Hamiltonian for this system by using a method recently introduced that produces a small rotation to the Hamiltonian that allows to…
We investigate the interactions of the deuteron with light mesons during the hadronic phase in heavy-ion collisions. We treat the deuteron as a weakly bound state and employ the quasi-free approximation to describe the $d\pi$ interaction.…
We deform the interaction between nonrelativistic point particles on a plane and a Chern-Simons field to obtain an action invariant with respect to time-dependent area-preserving diffeomorphisms. The deformed and undeformed Lagrangians are…
The isotope effect in the scattering of methane is studied by wavepacket simulations of oriented CH4 and CD4 molecules from a flat surface including all nine internal vibrations. At a translational energy up to 96 kJ/mol we find that the…
The long-range correlation energies and the off-diagonal interactions are studied and a general formula for correlation energy $E_c$ of the $\pi$ electron systems is given, which is beyond the nearest-neighbor electron-electron interactions…
Open-shell polycyclic aromatic hydrocarbons (PAHs) represent promising building blocks for carbon-based functional magnetic materials. Their magnetic properties stem from the presence of unpaired electrons localized in radical states of…
Chemiluminescence is the emission of light as a result of a nonadiabatic chemical reaction. The present work is concerned with understanding the yield of chemiluminescence, in particular how it dramatically increases upon methylation of…
We show the emergence of a strongly interacting Bose-Fermi mixture from a two-component Fermi mixture with population imbalance. By analyzing in situ density profiles of $^6$Li atoms in the BCS-BEC crossover regime we identify a critical…
The precise nature of chemical-bonding interactions in amorphous, and crystalline, chalcogenides is still unclear due to the complexity arising from the delocalization of bonding, and non-bonding, electrons. Although an increasing degree of…