Related papers: Time-Dependent Relativistic Two-Component Equation…
Given the time-evolution of an electron charge density, the local potential in Kohn-Sham time-dependent density functional theory (KS-TDDFT) can be modeled as a sum of instantaneous and dynamic contributions by assuming a certain form of…
This work explores the relationship between state space methods and Koopman operator-based methods for predicting the time-evolution of nonlinear dynamical systems. We demonstrate that extended dynamic mode decomposition with dictionary…
We present a theory of vibrational modulation of two-dimensional coherent Fourier transformed electronic spectra. Based on an expansion of the system's energy gap correlation function in terms of Huang-Rhys factors, we explain the…
We show that it is possible to change from a {\it subnatural} electromagnetically induced transparency (EIT) feature to a {\it subnatural} electromagnetically induced absorption (EIA) feature in a (degenerate) three-level $\Lambda$ system.…
Real-time time-dependent density functional theory, in conjunction with the Ehrenfest molecular dynamics scheme, is becoming a popular methodology to investigate ultrafast phenomena on the nanoscale. Thanks to recent developments, it is…
Non-Hermitian systems generically have complex energies, which may host topological structures, such as links or knots. While there has been great progress in experimentally engineering non-Hermitian models in quantum simulators, it remains…
We investigate the time evolution of odd entanglement entropy (OEE) and logarithmic negativity (LN) for the thermofield double (TFD) states in free scalar quantum field theories using the covariance matrix approach. To have mixed states, we…
The motion of electrons under homogeneously applied electric fields in low-dimensional systems with non-zero off-diagonal effective mass (ODEM) is studied. The equation describing the time evolution of a probability coefficient of finding…
We present an embedding approach to treat local electron correlation effects in periodic environments. In a single, consistent framework, our plane-wave based scheme embeds a local high-level correlation calculation (here Coupled Cluster…
We study the electronic properties of a linear trans-polyacetylene (tPA) molecule capacitively coupled to an external gate voltage $V_g$ of width $d$. We describe this system using the Takayama-Lin-Liu-Maki (TLM) model in the continuum, and…
Time-resolved photoemission spectroscopy provides a unique and direct way to explore the real-time nonequilibrium dynamics of electrons and holes. The formal theory of the spectral function evolution requires inclusion of electronic…
The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…
We advance a covariant construction for the holographic odd entanglement entropy (OEE) of time dependent bipartite states in CFT$_2$s dual to bulk AdS$_3$ geometries. In this context we obtain the OEE for bipartite states in zero, finite…
In this paper, we address the role of electron-electron interactions on the velocities of spin and charge transport in one-dimensional systems typified by conjugated polymers. We employ the Hubbard model to model electron-electron…
Electronic circular dichroism (ECD) is a powerful spectroscopical method for investigating chiral properties at the molecular level. ECD calculations with the commonly used linear-response time-dependent density functional theory (LR-TDDFT)…
A theoretic framework for dynamics is obtained by transferring dynamics from state space to its dual space. As a result, the linear structure where dynamics are analytically decomposed to subcomponents and invariant subspaces decomposition…
Relativistic magnetic reconnection is a key mechanism for dissipating magnetic energy and accelerating particles in astrophysics. In the absence of radiative cooling, recent particle-in-cell (PIC) simulations have shown that high-energy…
The particle-hole interaction problem is longstanding within time-dependent density functional theory (TDDFT) and leads to extreme errors in the prediction of K-edge X-ray absorption spectra (XAS). We derive a linear-response formalism that…
In this paper, we analyze the properties of the recently proposed real-time equation-of-motion coupled-cluster (RT-EOM-CC) cumulant Green's function approach [J. Chem. Phys. 2020, 152, 174113]. We specifically focus on identifying the…
We report successful implementation of the time-dependent second-order many-body perturbation theory using optimized orthonormal orbital functions called time-dependent optimized second-order many-body perturbation theory [TD-OMP2] to reach…