相关论文: The twisted arc model for chiral molecules

We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…

Chirality is a fundamental concept in physics that underpins various phenomena in nonlinear optics, quantum physics, and topological photonics. Although the spin of a photon naturally brings chirality, orbital angular momentum can also…

We study the shift of rotational levels of a diatomic polar molecule due to its van der Waals (vdW) interaction with a gently curved dielectric surface at temperature $T$, and submicron separations. The molecule is assumed to be in its…

We study the coherent inelastic diffraction of very weakly bound two body clusters from a material transmission grating. We show that internal transitions of the clusters can lead to new separate peaks in the diffraction pattern whose…

Twistronics has received much attention as a new method to manipulate the properties of 2D van der Waals structures by introducing moir\'e patterns through a relative rotation between two layers. Here we begin a theoretical exploration of…

The high energy amplitudes of the large angles Moller scattering are calculated in frame of chiral basis in Born and 1-loop QED level. Taking into account as well the contribution from emission of soft real photons the compact relations…

In this paper we employ all-electron time dependent density functional theory (TDDFT) to calculate the long range dipole-dipole dispersion coefficient (van der Waals coefficient) $C_{6}$ of alkali-metal atoms Li, Na, K, alkali-metal atom…

Clarifying electronic and vibronic properties at individual molecule level provides key insights to future chemistry, nanoelectronics, and quantum information technologies. The single electron tunneling spectroscopy has been used to study…

According to quantum mechanics chiral molecules, that is molecules that rotate the polarization of light, should not exist. The simplest molecules which can be chiral have four or more atoms with two arrangements of minimal potential energy…

Diffusion of particles in complex fluids and gels is difficult to describe and often lies beyond the scope of the classical Stokes-Einstein relation. One of the main lines of research over the past few decades has sought to relate…

In this study, we apply the monitoring master equation describing decoherence of internal states to an optically active molecule prepared in a coherent superposition of nondegenerate internal states interacting with thermal photons at low…

The creation of van der Waals heterostructures based on a graphene monolayer and other two-dimensional crystals has attracted great interest because atomic registry of the two-dimensional crystals can modify the electronic spectra and…

We develop a direct derivation for the primary contribution to the vibrational polarizability for molecules, clusters and other finite systems. The vibrational polarizability is then calculated within the generalized gradient approximation…

Twistronic assembly of 2D materials employs the twist angle between adjacent layers as a tuning parameter for designing the electronic and optical properties of van der Waals heterostructures. Here, we study how interlayer hybridization,…

The polarization properties of perfectly periodical and defective one-dimensional photonic bandgap structures with nonreciprocal chiral (bi-isotropic) layers are studied. The method of solution is based on the 2x2-block-representation…

The phenomenon of molecular optical activity manifests itself as the rotation of the plane of linear polarization when light passes through chiral media. Measurements of optical activity and its wavelength dependence, optical rotatory…

Variational methods are used to calculate structural and thermodynamical properties of a titrating polyelectrolyte in a discrete representation. The Coulomb interactions are emulated by harmonic repulsive forces, the force constants being…

Chiral four-wave-mixing signals are calculated using the irreducible tensor formalism. Different polarization and crossing angle configurations allow to single out the magnetic dipole and the electric quadrupole interactions. Other…

A completely analytical and unified approach to the theory of chirped-pulse oscillators is presented. The approach developed is based on the approximate integration of the generalized nonlinear complex Ginzburg-Landau equation and…

Chiral active matter is a variant of active matter systems in which the motion of the constituent particles violates mirror symmetry. In this letter, we simulate two-dimensional chiral Active Brownian Particles, the simplest chiral model in…