Related papers: Electron Chirality in Amino Acid Molecules
We systematically investigate the generation of optical chirality patterns by applying the superposition of two waves in three scenarios, namely plane waves in free space, evanescent waves of totally reflected light at dielectric interface…
We demonstrate that the fundamental causality principle being applied to strongly chiral artificial materials yields the generalized Kramers-Kronig relations for the observables -- circular dichroism and optical activity. The relations…
Chiral plasmonic nanostructures are rapidly emerging as ideal substrates for enantioselective sensing, chiral near-field engineering, and plasmon-assisted catalysis, owing to their exceptional sensitivity to structural handedness. However,…
We propose a method to realize enantiodiscrimination of chiral molecules based on quantum correlation function in a driven cavity-molecule system, where the chiral molecule is coupled with a quantized cavity field and two classical light…
Adopting the fully quantal triaxial particle rotor model, the candidate chiral doublet bands in odd-$A$ nuclei $^{103}$Rh and $^{105}$Rh with $\pi g_{9/2}^{-1}\otimes\nu h^{2}_{11/2}$ configuration are studied. For the doublet bands in both…
We use continuum theory to show that chirality is a key thermodynamic control parameter for the aggregation of biopolymers: chirality produces a stable disperse phase of hexagonal bundles under moderately poor solvent conditions, as has…
The role of chirality in determining the spin dynamics of photoinduced electron transfer in donor-acceptor molecules remains an open question. Although chirality-induced spin selectivity (CISS) has been demonstrated in molecules bound to…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
The delicate balance between H-bonding and van der Waals interactions determine the stability,structure and chirality of many molecular and supramolecular aggregates weakly adsorbed on solid surfaces.Yet the inherent complexity of these…
The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the…
This work describes the fully analytical method for calculation of the molecular integrals over Slater-type orbitals with non-integer principal quantum numbers. These integrals are expressed through relativistic molecular auxiliary…
We introduce a new basis function (the spherical gaussian) for electronic structure calculations on spheres of any dimension $D$. We find \alert{general} expressions for the one- and two-electron integrals and propose an efficient…
Chirality is a pervasive form of symmetry that is intimately connected to the physical properties of solids, as well as the chemical and biological activity of molecular systems. However, its control with light is challenging, because…
We report the three main ingredients to calculate three- and four-electron integrals over Gaussian basis functions involving Gaussian geminal operators: fundamental integrals, upper bounds, and recurrence relations. In particular, we…
Molecular chirality is conventionally understood as space-inversion-symmetry breaking in the equilibrium structure of molecules. Less well known is that achiral molecules can be made chiral through extreme rotational excitation. Here, we…
We calculate target-material responses for dark matter--electron scattering at the \textit{ab-initio} all-electron level using atom-centered gaussian basis sets. The all-electron effects enhance the material response at high momentum…
Photons experience mirror asymmetry of macroscopic chiral media, as in circular dichroism and polarization rotation, since left and right handed circular polarizations differently couple with matter handedness. Conversely, free relativistic…
An efficient all-electron G$^0$W$^0$ method and a quasiparticle selfconsistent GW (QSGW) method for molecules are proposed in the molecular orbital space with the full random phase approximation. The convergence with basis set is examined.…
Chirality has been a property of central importance in chemistry and biology for more than a century, and is now taking on increasing relevance in condensed matter physics. Recently, electrons were found to become spin polarized after…
A whole series of expressions for four species of multipoles (electric, magnetic, magnetic toroidal, and electric toroidal) is provided as a complete basis set to describe arbitrary single-centered spinful electron systems. A compact…