Related papers: Exact Factorization Adventures: A Promising Approa…
We demonstrate the potential of X-ray free-electron lasers (XFEL) to advancethe understanding of complex plasma dynamics by allowing for the first time nanometer and femtosecond resolution at the same time in plasma diagnostics. Plasma…
The decomposition of electronic and nuclear motion presented in~[A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)] yields a time-dependent potential that drives the nuclear motion and fully accounts for the…
We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows to determine rigorously existence, location, and exact form of separable ground…
In this paper, we provide a rigorous quantum mechanical derivation for the coherent photon transport characteristics of a two-level atom coupled to a waveguide without linearizing the coupling coefficient between the light and the atom. We…
Low-lying shell model states may be approximated accurately by a sum over products of proton and neutron states. The optimal factors are determined by a variational principle and result from the solution of rather low-dimensional eigenvalue…
We propose a new fast method to match factorization theorems applicable in different kinematical regions, such as the transverse-momentum-dependent and the collinear factorization theorems in Quantum Chromodynamics. At variance with…
The exact nuclear time-dependent potential energy surface arises from the exact decomposition of electronic and nuclear motion, recently presented in [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)]. Such…
Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherence in the trajectory surface hopping method and the inability…
We present a novel quantum-classical approach to non-adiabatic dynamics, deduced from the coupled electronic and nuclear equations in the framework of the exact factorization of the electron-nuclear wave function. The method is based on the…
A new approach for describing the effective electronic states of "atoms in compounds" to study the properties of molecules and condensed matter which are circumscribed by the operators heavily concentrated in atomic cores is proposed. Among…
Electronic polarization and dispersion are decisive actors in determining interaction energies between molecules. These interactions have a particularly profound effect on excitation energies of molecules in complex environments, especially…
The exact-exchange (EXX) potential, which is obtained by solving the optimized-effective potential (OEP) equation, is compared to various approximate semilocal exchange potentials for a set of selected solids (C, Si, BN, MgO, Cu$_{2}$O, and…
This paper focuses on the Matrix Factorization based Clustering (MFC) method which is one of the few closed form algorithms for the subspace clustering problem. Despite being simple, closed-form, and computation-efficient, MFC can…
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking…
Heterogeneous sensor setups may entail measurements recorded at varying sampling frequencies, commonly known as multi-rate data. For system identification and state estimation with such data, existing studies mostly focus on data fusion…
Ultrafast electronic dynamics are typically studied using pulsed lasers. We demonstrate a complementary experimental approach: quantum simulation of ultrafast dynamics using trapped ultracold atoms. Counter-intuitively, this technique…
The entanglement of an optically generated electron-hole pair in artificial quantum dot molecules is calculated considering the effects of decoherence by interaction with environment. Since the system evolves into a mixed states and due to…
Fromager and Lasorne [Electron. Struct. 6 025002 (2024)] have recently derived an in-principle exact Kohn-Sham density functional theory (KS-DFT) of electrons and nuclei, where the nuclear density and the (so-called conditional) electronic…
Density functional theory is generalized to incorporate electron-phonon coupling. A Kohn-Sham equation yielding the electronic density $n_U(\mathbf{r})$, a conditional probability density depending parametrically on the phonon normal mode…
Particle acceleration consequences from fluctuating electric fields superposed on an X-type magnetic field in collisionless solar plasma are studied. Such a system is chosen to mimic generic features of dynamic reconnection, or the…