相关论文: The MCAS Way
The optical hybridization of the electronic states in strongly coupled molecule-cavity systems have revealed unique properties such as lasing, room temperature polariton condensation, and the modification of excited electronic landscapes…
We introduce "bond-counting" potentials, which provide an elementary description of covalent bonding. These simplistic potentials are intended for studies of the mechanisms behind a variety of phase transitions in elemental melts, including…
A bismuth bond, a type of pnictogen bonding interaction, occurs in chemical systems when there is evidence of a net attractive interaction between the electrophilic region of a covalently or coordinately bonded bismuth atom and the…
By means of non-adiabatic quantum molecular dynamics it is shown, that the amount of energy deposited into $\text{C}_{60}$ by a short laser field strongly depends on the molecular orientation with respect to the laser polarization…
We study a quantum ladder of interacting fermions with coupled s and p orbitals. Such a model describes dipolar molecules or atoms loaded into a double-well optical lattice, dipole moments being aligned by an external field. The two orbital…
Transport through a molecule sandwiched between two metallic electrodes and coupled to a mesoscopic ring that threads a magnetic flux $\phi$ is studied. An analytic approach for the electron transport through the molecular bridge system is…
Motzkin chain is a model of nearest-neighbor interacting quantum $s=1$ spins with open boundary conditions. It is known that it has a unique ground state which can be viewed as a sum of Motzkin paths. We consider the case of periodic…
New ways to treat electron correlation in electronic structure problems are discussed in the context of many-electron theory. The present work focuses primarily on static correlation. In related work, a method for including dynamical…
A time dependent variational principle is used to dequantize a second order quadrupole boson Hamiltonian. The classical equations for the generalized coordinate and the constraint for angular momentum are quantized and then analytically…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
We present an effective description for the crystal structures of pnictogen elemental solids. In these materials, each atom contains three valence electrons in $p$ orbitals. They are shared between neighbouring atoms to form valence bonds.…
Semiclassical periodic orbit theory is used in many branches of physics. However, most applications of the theory have been to systems which involve only single particle dynamics. In this work, we develop a semiclassical formalism to…
Linear and non-linear transport properties through an atomic-size point contact based on oxides two-dimensional electron gas is examined using the tight-binding method and the $\mathbf{k\cdot p}$ approach. The ballistic transport is…
Unlike for bipartite states consisting of distinguishable particles, in the case of identical parties the notion of entanglement is still under debate. In the following, we review two different approaches to the entanglement of systems…
Atom arrays are a new type of quantum light-matter interface. Here, we propose to employ one-dimensional ordered arrays as atomic waveguides. These arrays support optical guided modes that do not decay into free space. We show that these…
Classifying interactions is key in the physical sciences, and bonding mechanisms in matter-antimatter systems remain particularly enigmatic. Here we focus on a paradigmatic example of positronium hydride (PsH) dimer composed of two protons,…
Any particular classical system and its quantum version are normally viewed as separate formulations that are strictly distinct. Our goal is to overcome the two separate languages and create a smooth and common procedure that provides a…
Electron coupling to intra- and inter-molecular vibrational modes is investigated in models appropriate to single crystal organic semiconductors, such as oligoacenes. Focus is on spectral and transport properties of these systems beyond…
In a previous letter (Phys. Rev. Lett. 96, 072502 (2006)), the multi-channel algebraic scattering (MCAS) technique was used to calculate spectral properties for proton-unstable $^{15}$F and its mirror, $^{15}$C. MCAS achieved a close match…
One can confine the two-dimensional electron gas in semiconductor heterostructures electrostatically or by etching techniques such that a small electron island is formed. These man-made ``artificial atoms'' provide the experimental…