Related papers: A grid-based Ehrenfest model to study electron-nuc…
We present a dynamical simulation scheme to model the highly correlated excited state dynamics of linear polyenes. We apply it to investigate the internal conversion processes of carotenoids following their photoexcitation. We use the…
In the context of the exact factorization of the electron-nuclear wave function, the coupling between electrons and nuclei beyond the adiabatic regime is encoded (i) in the time-dependent vector and scalar potentials and (ii) in the…
The dynamics and processes involved in particle-molecule scattering, including nuclear dynamics, are described and analyzed using various quantum information quantities throughout the different stages of the scattering. The main process…
We investigate the dynamics of interacting electrons confined to two types of quantum dot system, when driven by an external AC field. We first consider a system of two electrons confined to a pair of coupled quantum dots by using an…
The model of nonrelativistic particles coupled to nonstandard (2+1)-gravity [1] is extended to include Abelian or non-Abelian charges coupled to Chern-Simons gauge fields. Equivalently, the model may be viewed as describing the (Abelian or…
We present a generic approach for treating the effect of nuclear motion in the high-order harmonic generation from polyatomic molecules. Our procedure relies on a separation of nuclear and electron dynamics where we account for the…
We present a direct ab initio solution of the Schrodinger equation for neutral helium and helium-like atoms that reproduces the energy of the singlet S state 1S0. By redefining the two-electron wavefunction with tools from complex analysis…
We introduce a method for solving the problem of an externally controlled electron spin in a quantum dot interacting with host nuclei via the hyperfine interaction. Our method accounts for generalized (non-unitary) evolution effected by…
We have considered the $S=1/2$ antiferromagnetic Heisenberg model in two dimensions, with an additional Ising \nnn interaction. Antiferromagnetic \nnn interactions will lead to frustration, and the system responds with flipping the spins…
Experiments indicate that collective coupling of molecular ensembles to confined optical modes can modify excited-state dynamics and photochemical reactivity. To describe such cavity-induced effects at atomic resolution, semi-classical…
We discuss a method of solving the time dependent Schrodinger equation for atoms with two active electrons in a strong laser field, which we used in a previous paper [A. Scrinzi and B. Piraux, Phys. Rev. A 56, R13 (1997)] to calculate…
The Ehrenfest theorem and the Robertson uncertainty relation are well-known basic equations in quantum mechanics. However, there exist problematic cases, where the Ehrenfest theorem and the Robertson uncertainty relation are not correct.…
One of the most accurate methods for solving the time-dependent Schr\"{o}dinger equation uses a combination of the dynamic Fourier method with the split-operator algorithm on a tensor-product grid. To reduce the number of required grid…
A model based on the classic non-interacting Ehrenfest urn model with two-urns is generalized to $M$ urns with the introduction of interactions for particles within the same urn. As the inter-particle interaction strength is varied, phases…
We study the semiclassical Ehrenfest trajectories in open quantum systems. We first derive in explicit form the Fokker-Planck equation that governs the time evolution of the mixing measure for a Gaussian mixture. Then, we embed the…
High throughput screening of materials for technologically relevant areas, like identification of better catalysts, electronic materials, ceramics for high temperature applications and drug discovery, is an emerging topic of research. To…
A Hubbard-like model with SU(4) symmetry for electrons with two-fold orbital degeneracy is studied extensively. Exact solution in one dimension is derived by means of Bethe ansatz, where the sites are supposed to be occupied by at most two…
We present a quaternion-inspired formalism specifically developed to evaluate the electric current that traverses a single molecule subjected to an externally applied voltage. The molecule of interest is covalently connected to two small…
Due to the exponential growth of the state space of coupled quantum systems it is not possible, in general, to numerically store the state of a very large number of quantum systems within a classical computer. We demonstrate a method for…
We discuss the use of super-fermion formalism to represent and solve quantum kinetic equations for the electron transport problem. Starting with the Lindblad master equation for the molecule connected to two metal electrodes, we convert the…