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Register a new userMicroscopic theory of vibronic dynamics in linear polyenes
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We propose a novel approach to calculate dynamical processes at ultrafast time scale in molecules in which vibrational and electronic motions are strongly mixed. The relevant electronic orbitals and their interactions are described by a Hubbard model, while electron-phonon interaction terms account for the bond length dependence of the hopping and the change in ionic radii with valence charge. The latter term plays a crucial role in the non-adiabatic internal conversion process of the molecule. The time resolved photoelectron spectra are in good qualitative agreement with experiments.
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The linear and nonlinear processes in ferromagnetic films at low temperatures T<< Tc are studied in a microscopic theory. Both the long-range magnetic dipole-dipole and the Heisenberg exchange interactions to nearest and next-nearest neighbors are included. The results obtained for the linearized spin-wave spectrum are compared with previous macroscopic theories. For ultrathin films (or for large wave vectors) the microscopic theory provides important corrections. The nonlinear dynamics of the spin waves are studied through a finite-temperature perturbation theory based on Feynman diagrams. We obtain explicit results for the energy shift and damping (or reciprocal lifetime) of the dipole-exchange spin waves due to all possible three-magnon and four-magnon processes involving combinations of the surface and quantized bulk spin waves at low temperatures. To investigate different dipole interaction strengths (relative to the exchange) numerical results are presented using parameters for Fe, EuO, and GdCl3.
We present density matrix renormalisation group calculations of the Pariser- Parr-Pople-Peierls model of linear polyenes within the adiabatic approximation. We calculate the vertical and relaxed transition energies, and relaxed geometries for various excitations on long chains. The triplet (3Bu+) and even- parity singlet (2Ag+) states have a 2-soliton and 4-soliton form, respectively, both with large relaxation energies. The dipole-allowed (1Bu-) state forms an exciton-polaron and has a very small relaxation energy. The relaxed energy of the 2Ag+ state lies below that of the 1Bu- state. We observe an attraction between the soliton-antisoliton pairs in the 2Ag+ state. The calculated excitation energies agree well with the observed values for polyene oligomers; the agreement with polyacetylene thin films is less good, and we comment on the possible sources of the discrepencies. The photoinduced absorption is interpreted. The spin-spin correlation function shows that the unpaired spins coincide with the geometrical soliton positions. We study the roles of electron-electron interactions and electron-lattice coupling in determining the excitation energies and soliton structures. The electronic interactions play the key role in determining the ground state dimerisation and the excited state transition energies.
Rydberg chains provide an appealing platform for probing conformal field theories (CFTs) that capture universal behavior in a myriad of physical settings. Focusing on a Rydberg chain at the Ising transition separating charge density wave and disordered phases, we establish a detailed link between microscopics and low-energy physics emerging at criticality. We first construct lattice incarnations of primary fields in the underlying Ising CFT including chiral fermions -- a nontrivial task given that the Rydberg chain Hamiltonian does not admit an exact fermionization. With this dictionary in hand, we compute correlations of microscopic Rydberg operators, paying special attention to finite, open chains of immediate experimental relevance. We further develop a method to quantify how second-neighbor Rydberg interactions tune the sign and strength of four-fermion couplings in the Ising CFT. Finally, we determine how the Ising fields evolve when four-fermion couplings drive an instability to Ising tricriticality. Our results pave the way to a thorough experimental characterization of Ising criticality in Rydberg arrays, and can also be exploited to design novel higher-dimensional phases based on coupled critical chains.
A consistent microscopic theory of superconductivity for strongly correlated electronic systems is presented. The Dyson equation for the normal and anomalous Green functions for the projected (Hubbard) electronic operators is derived. To compare various mechanisms of pairing, the extended Hubbard model is considered where the intersite Coulomb repulsion and the electron-phonon interaction are taken into account. We obtain the $d$-wave pairing with high-$T_c$ induced by the strong kinematical interaction of electrons with spin fluctuations, while the Coulomb repulsion and the electron-phonon interaction are suppressed for the $d$-wave pairing. These results support the spin-fluctuation mechanism of high-temperature superconductivity in cuprates previously proposed in phenomenological models.
The time-dependent covariant density functional theory in 3D lattice space has been developed and applied to investigate the microscopic dynamics of the linear-chain cluster states for carbon isotopes in the reactions $^4$He$+^8$Be and $^4$He$+^{10}$Be without any symmetry assumptions. By examining the density distribution and its time evolutions, the structure and dynamics of the linear-chain states are analyzed, and the quasiperiodic oscillations of the clusters are revealed. For $^4$He$+^8$Be, the linear-chain states evolve to a triangular configuration and then to a more compact shape. In contrast, for $^4$He$+^{10}$Be, the lifetime of the linear-chain states is much more prolonged due to the dynamical isospin effects by the valence neutrons which slow down the longitudinal oscillations of the clusters and persist the linear-chain states. The dependence of the linear chain survival time and dynamical isospin effects on impact parameters have been illustrated as well.
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