Related papers: Comparing real-time coupled cluster methods throug…
The fluctuation behavior of triple quantum dots (TQDs) has, so far, largely focused on current cumulants in the long-time limit via full counting statistics. Given that (TQDs) are non-trivial open quantum systems with many interesting…
A quantum simulation of vibrational strong coupling (VSC) in the collective regime via thermostatted ring-polymer molecular dynamics (TRPMD) is reported. For a collection of liquid-phase water molecules resonantly coupled to a single…
Ultrafast optical pump of exciton resonance in single quantum dot by an elliptically polarized laser pulse is described by the non-Markov balance equations. Population and spin dynamics are investigated and spin-dependent Rabi oscillations…
In this work we present a derivation of the real-time time-dependent orbital-optimized M{\o}ller-Plesser TDOMP2 and its biorthogonal companion, time-dependent non-orthogonal OMP2 (TDNOMP2), theory starting from the time-dependent…
The projection-based quantum embedding method is applied to electronically excited states of valence, Rydberg, and charge-transfer character, valence- and core-ionized states, as well as bound and temporary radical anions. We embed…
Continuous time crystals (CTCs) are characterized by sustained oscillations that break the time translation symmetry. Since the ruling out of equilibrium CTCs by no-go theorems, the emergence of such dynamical phases has been observed in…
In this article, we investigate the numerical and theoretical aspects of the coupled-cluster method tailored by matrix-product states. We investigate chemical properties of the used method, such as energy size extensivity and the…
Ab initio methods based on the second-order and higher connected moments, or cumulants, of a reference function have seen limited use in the determination of correlation energies of chemical systems throughout the years. Moment-based…
Electronic structure methods built around double-electron excitations have a rich history in quantum chemistry. However, it seems to be the case that such methods are only suitable in particular situations and are not naturally equipped to…
In this work, a derivation and implementation of the relativistic time-dependent configuration interaction singles (RTDCIS) method is presented. Various observables for krypton and xenon atoms obtained by RTDCIS are compared with…
In this paper, we focus on the numerical simulation of phase separation about macromolecule microsphere composite (MMC) hydrogel. The model equation is based on Time-Dependent Ginzburg-Landau (TDGL) equation with reticular free energy. We…
Dissipative structures are localized, stable patterns that arise due to the intricate balance among dissipation, dispersion, interaction, and external drive. Their creation and manipulation are of great interest in fields as diverse as…
The familiar Rabi model, comprising a two-level system coupled to a quantum harmonic oscillator, continues to produce rich and surprising physics when the coupling strength becomes comparable to the individual subsystem frequencies. We…
We present a numerical implementation of the gauge-invariant time-dependent configuration interaction singles (TDCIS) method [Appl. Sci. 8, 433 (2018)] for three-dimensional atoms. In our implementation, orbital-like quantity called channel…
Coupled trajectory mixed quantum classical (CTMQC) dynamics is a rigorous approach to trajectory-based non-adiabatic dynamics, which has recently seen an improvement to energy conservation via the introduction of the CTMQC-E algorithm.…
In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows…
We performed molecular dynamics simulations on a one-dimensional diatomic gas to investigate the possible long time scale inherent in heterogeneous Hamiltonian systems. The exponentially long time scale for energy sharing between the…
Discrete time crystals (DTCs) are nonequilibrium phases of matter with exotic observable dynamics. Among their remarkable features is their response to a periodic drive at a fraction of its frequency. Current successful experiments are…
We report our successful implementation of the full fledged relativistic equation of motion coupled cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare gas atoms, He-like…
We consider a dissipative quantum Ising model periodically driven by a train of $\pi$-pulses and investigate dissipative discrete time crystals (DTCs) in solids. In this model, the interaction between the spins spontaneously breaks the…