Related papers: Multicolor groups for molecules and solids
The pairing interactions between electrons play an essential role in determining the properties in superconducting states. Recently, a plethora of unconventional superconducting states has been extensively explored, which often emerge owing…
Cluster magnetic multipoles are order parameters that describe the symmetry of spin arrangements in magnetic materials. High-order multipoles are particularly important in non-collinear antiferromagnets, where they determine key physical…
We investigate a class of 2-edge coloured bipartite graphs known as alternating signed bipartite graphs (ASBGs) that encode the information in alternating sign matrices. The central question is when a given bipartite graph admits an…
We stress the potential usefulness of renormalization group invariants. Especially particular combinations thereof could for instance be used as probes into patterns of supersymmetry breaking in the MSSM at inaccessibly high energies. We…
We apply scaling and the theory of the fundamental limits of the second-order molecular susceptibility to identify material classes with ultralarge nonlinear-optical response. Size effects are removed by normalizing all nonlinearities to…
Many standard structural quantities, such as order parameters and correlation functions, exist for common condensed matter systems, such as spherical and rod-like particles. However, these structural quantities are often insufficient for…
Finding new two-dimensional (2D) materials with novel quantum properties is highly desirable for technological innovations. In this work, we studied a series of metal-organic frameworks (MOFs) with different metal cores and discovered…
Magnetic clusters, i.e., assemblies of a finite number (between two or three and several hundred) of interacting spin centers which are magnetically decoupled from their environment, can be found in many materials ranging from inorganic…
The past years have seen rapid progress in the classification of topological materials. These diagnostical methods are increasingly getting explored in the pertinent context of magnetic structures. We report on a general class of electronic…
Molecular spin clusters are mesoscopic systems whose structural and physical features can be tailored at the synthetic level. Besides, their quantum behavior is directly accessible in laboratory and their magnetic properties can be…
We derive a framework to apply topological quantum chemistry in systems subject to magnetic flux. We start by deriving the action of spatial symmetry operators in a uniform magnetic field, which extends Zak's magnetic translation groups to…
We demonstrate, using examples from $2$ and $3$-dimensions, a systematic method of finding all possible periodic arrangements of a given molecule or molecules such that the arrangements have the symmetry of a given space group. The…
Liquid crystals offer several advantages as solvents for molecules used for nuclear magnetic resonance quantum computing (NMRQC). The dipolar coupling between nuclear spins manifest in the NMR spectra of molecules oriented by a liquid…
Photonic molecules, named by analogy with chemical molecules, are clusters of closely located electromagnetically interacting microcavities or "photonic atoms". As two or several microcavities are brought close together, their optical modes…
Transition metal dichalcogenides (TMDCs) have emerged as a new two dimensional materials field since the monolayer and few-layer limits show different properties when compared to each other and to their respective bulk materials. For…
An implementation of coupled-cluster (CC) theory to treat atoms and molecules in finite magnetic fields is presented. The main challenges stem from the magnetic-field dependence in the Hamiltonian, or, more precisely, the appearance of the…
The Mueller-Stokes formalism which governs conventional polarization optics is formulated for plane waves, and thus the only qualification one could demand of a $4\times 4$ real matrix $M$ in order that it qualifies to be the Mueller matrix…
A new class of electromagnetic composite particles is proposed. The composites are very small (the Compton scale), potentially long-lived, would have unique interactions with atomic and nuclear systems, and, if they exist, could explain a…
Introduction: molecular geometry, the three-dimensional arrangement of atoms within a molecule, is fundamental to understanding chemical reactivity, physical properties, and biological activity. The prevailing models used to describe…
Molecular modeling at the quantum level requires choosing a parameterization of the wavefunction that both respects the required particle symmetries, and is scalable to systems of many particles. For the simulation of fermions, valid…