Related papers: Chiral Vibrational Modes in Small Molecules
A procedure for calculation of rotation-vibration states of medium sized molecules is presented. It combines the advantages of variational calculations and perturbation theory. The vibrational problem is solved by diagonalizing a…
We explore the interplay between tunneling process and chiral interactions in the discrimination of chiral states for an ensemble of molecules in a biological environment. Each molecule is described by an asymmetric double-well potential…
Understanding the condensed-phase behavior of chiral molecules is important in biology, as well as in a range of technological applications, such as the manufacture of pharmaceuticals. Here, we use molecular dynamics simulations to study a…
Molecular chirality plays a crucial role in innumerable biological processes. The chirality of a molecule can typically be identified by its characteristic optical response, the circular dichroism (CD). CD signals have thus long been used…
We discuss in detail a well known method for obtaining the frequencies of the normal modes of coupled harmonic oscillators that is based on the simultaneous diagonalization of two symmetric matrices. We apply it to some simple illustrative…
Chirality, or handedness, enters astrophysics in three distinct ways. Magnetic field and vortex lines tend to be helical and have a systematic twist in the northern and southern hemispheres of a star or a galaxy. Helicity is here driven by…
We present a theoretical framework to investigate spin chirality in molecular quantum systems. Focusing on a minimal three-spin-center model with antiferromagnetic exchange and symmetry breaking driven by an electric-field-induced…
We present the first three-dimensional helicity maps of fully developed turbulence obtained through chirality tomography, a Lagrangian voxel-based method that reconstructs helicity density from particle trajectories. Our approach builds on…
A new scheme for enantiomer differentiation of chiral molecules using a pair of linearly polarized intense ultrashort laser pulses with skewed mutual polarization is presented. The technique relies on the fact that the off-diagonal…
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…
We present a simple model for chiral molecules which yields the frequency-dependent multipole-multipole polarizabilities required for calculating the dispersive van der Waals constants in a simple, closed, and consistent form. The model…
We discuss electronic properties and their evolution for the linear chain of $H_2$ molecules in the presence of a uniform external force $f$ acting along the chain. The system is described by an extended Hubbard model within a fully…
Vibrational density of states of a classical two-dimensional electron system obtained with a molecular-dynamics simulation is shown to have a peak in both solid and liquid phases. From an exact diagonalisation of the dynamical matrix, the…
Molecular chirality is a geometric property that is of great importance in chemistry, biology, and medicine. Recently, plasmonic nanostructures that exhibit distinct chiroptical responses have attracted tremendous interest, given their…
In photoelectron circular dichroism (PECD) it is generally difficult to trace how and when the chirality of the molecule is imprinted onto the photoelectron. We present simulations of PECD in a simple model and employ chirality measures to…
Molecule- and particle-based simulations provide the tools to test, in microscopic detail, the validity of classical nucleation theory. In this endeavour, determining nucleation mechanisms and rates for phase separation requires an…
We derive an electron-vibration model Hamiltonian in a quantum chemical framework, and explore the extent to which such a Hamiltonian can capture key effects of nonadiabatic dynamics. The model Hamiltonian is a simple two-body operator, and…
Experiments studying vibrational effects on electronic transport through single molecules have observed several seemingly inconsistent behaviors, ranging from up to 30 harmonics of a vibrational frequency in one experiment, to an absence of…
Chirality in integrated quantum photonics has emerged as a promising route towards achieving scalable quantum technologies with quantum nonlinearity effects. Topological photonic waveguides, which utilize helical optical modes, have been…
We investigate the sedimentation of chiral particles in viscous fluid flow. We identify helical ribbons as simple particles with strong translation-rotation coupling whose symmetry ensures that the centers of mass, buoyancy, resistance, and…