相关论文: Bond Alternation, Polarizability and Resonance Det…

A two-state model Hamiltonian is proposed to model the coupling of twisting displacements to charge-transfer behavior in the ground and excited states of a general monomethine dye molecule. This coupling may be relevant to the molecular…

Temperature dependent photodegradation and recovery studies of Dipserse Orange 11 (DO11) dye dissolved in poly(methyl methacrylate) and polystyrene polymer hosts are used as a test of the recently proposed correlated chromophore domain…

We propose a minimal model Hamiltonian for the electronic structure of a monomethine dye, in order to describe the photoisomerization of such dyes. The model describes interactions between three diabatic electronic states, each of which can…

When designing molecular functional materials, the properties of the active specie, the dye, must be optimized fully accounting for environmental effects. Here we present an effective model to account for the spectroscopic effects of the…

We investigate a minimal valence-bond-based model Hamiltonian for photoisomerization of monomethine dyes. These include a broad class of large conjugated organic molecules including diarylmethane and cyanine dyes, and the chromophores of…

Binding of neutral Pheophorbide-a methyl ester (MePheo-a) to various synthetic polynucleotides, double-stranded poly(A)-poly(U), poly(G)-poly(C) and four-stranded poly(G), as well as to calf thymus DNA, was studied using the methods of…

We have laid out the results of a rigorous theoretical investigation into the response of electron dressed states, i.e., interacting Floquet states arising from the off-resonant coupling of Dirac spin-1 electrons in the $\alpha$-$T_3$…

Recent papers in solvable lattice models emphasize models where states can be visualized as colored paths through the lattice. We define a bosonic model in which there are two types of colors, one whose paths move down and to the right, the…

In this paper we study metastable states in single- and two-component dipolar Bose-Einstein condensates. We show that this system supports a rich spectrum of symmetries that are remarkably stable despite not being ground states. In a…

The study of bond alternation in one-dimensional electronic systems has had a long history. Theoretical work in the 1930s predicted the absence of bond alternation in the limit of infinitely long conjugated polymers; a result later…

We investigate the phase transition properties of the polymer-Potts model, a chain composed of monomers with magnetic degrees of freedom, with the motivation to study the conformation and mark switching dynamics of chromatin. By the…

Colored lattice models can be used to describe many different types of special functions of interest in both algebraic combinatorics and representation theory, for example Schur polynomials, nonsymmetric Macdonald polynomials, and…

In alloys exhibiting substitutional disorder, the variety of atomic environments manifests itself as a `disorder broadening' in their core level binding energy spectra. Disorder broadening can be measured experimentally, and in principle…

In this work, a theory of color symmetry is presented that extends the ideas of traditional theories of color symmetry for periodic crystals to apply to non-periodic crystals. The color symmetries are associated to each of the crystalline…

We study, at zero temperature, the dynamics of a single electron in a Holstein model augmented by site-diagonal, binary-alloy type disorder. The average over the phonon vacuum and the alloy configurations is performed within a generalized…

F\"orster resonance energy transfer (FRET) is a quantum mechanical phenomenon involving the non-radiative transfer of energy between coupled electric dipoles. Due to the strong dependence of FRET on the distance between the dipoles, it is…

The Migdal-Eliashberg theory (MET) describes electrons interacting with phonons in the adiabatic limit when the phonon Debye frequency is much smaller than the Fermi energy. A conventional belief is that MET holds even at strong coupling,…

An extended Hubbard model (including nearest-neighbor repulsion and antiferromagnetic spin exchange) is investigated on the frustrated checkerboard lattice, a two-dimensional analog of the pyrochlore lattice. Combining Gutzwiller…

This work presents an innovative computational study of domain-based charge transfer that leverages the localized orbitals of pair coupled cluster doubles (pCCD). This method enables both directional monitoring and quantitative assessment…

We propose a novel four-coloring model which describes "frustrated superfluidity" of $p$-band bosons in the diamond optical lattice. The superfluid phases of the condensate wavefunctions on the diamond-lattice bonds are mapped to four…