Electron propagation through a molecular device is determined by its quantum electronic
structure. We employ molecular conductance orbitals (MCOs) to predict and interpret …

A tight-binding theoretical model which describes the vibration properties of a new type of
mechanical metamaterial, the coupled-resonator phononic metamaterial (CRPM), is …

A geometry-based mechanism for generating steady-state internal circulation of local
thermal currents is demonstrated by harmonically coupled quantum oscillators formulated by …

In single-molecule junctions, Fano resonance allows for efficient electron transport
modulation between constructive and destructive interferences over a small energy range …

Newly synthesized nanostructures of graphene appear as a promising breeding ground for
new technology. Therefore it is important to identify the role played by the boundary …

Utilizing the nonequilibrium Green's function method, we study the local heat current flow of
phonons in nanoscale ballistic graphene nanoribbon, where boundary scattering leads to …

We study, analytically and numerically, a simple PT-symmetric tight-binding ring with an
onsite energy a at the gain and loss sites. We show that if a= 0, the system generically …

Excessive degeneracy in the ground state of the π-electron energy levels of anthracene was
removed using the Hückel method by correcting the Coulomb integral of the four central …

The accidental degeneracy appearing in cycloacenes as triplets and quadruplets is
explained with the concept of segmentation, introduced here with the aim of describing the …

A well-known property of aromatic molecules is their highly anisotropic response to an
external magnetic field: the magnetic susceptibility parallel to the field is generally much …