相关论文: Adiabatic extraction of nonlinear optical properti…
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…
We revisit the adiabatic criterion in stimulated Raman adiabatic passage for the three-level $\Lambda$-system, and compare the situation with and without nonlinearity. In linear systems, the adiabatic condition is derived with the help of…
With the aim of describing real-time electron dynamics, we introduce an adiabatic approximation for the equation of motion of the one-body reduced-density matrix (one-matrix). The eigenvalues of the one-matrix, which represent the…
We consider the electrons of a molecule in the adiabatic time-dependent density functional theory approximation. We establish the well-posedness of the time evolution and its linear response close to a non-degenerate ground state, and prove…
Adiabatic theorem and non-adiabatic corrections have been widely applied in modern quantum technology. Recently, non-adiabatic linear response theory has been developed to probe the many-body correlations in closed systems. In this work, we…
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…
We analyze, quantum mechanically, the dynamics of ionization with a strong, circularly polarized, laser field. We show that the main source for non-adiabatic effects is connected to an effective barrier lowering due to the laser frequency.…
We derive a version of the adiabatic theorem that is especially suited for applications in adiabatic quantum computation, where it is reasonable to assume that the adiabatic interpolation between the initial and final Hamiltonians is…
To address the impact of electron correlations in the linear and non-linear response regimes of interacting many-electron systems exposed to time-dependent external fields, we study one-dimensional (1D) systems where the interacting problem…
In the conventional quantum mechanics (i.e., hermitian QM) the adia- batic theorem for systems subjected to time periodic fields holds only for bound systems and not for open ones (where ionization and dissociation take place) [D. W. Hone,…
We investigate the effect of nonlinearity in a system described by an adiabatically evolving Hamiltonian. Experiments are conducted in a three-core waveguide structure that is adiabatically varying with distance, in analogy to the STIRAP…
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…
Only very recently, rescaling time has been recognized as a way to achieve adiabatic dynamics in fast processes. The advantage of time-rescaling over other shortcuts to adiabaticity is that it does not depend on the eigenspectrum and…
The interplay of nuclear and electronic dynamics characterizes the multi-dimensional electronic spectra of various molecular and solid-state systems. Theoretically, the observable effect of such interplay can be accounted for by response…
We show how the dynamics of a specific subset of states can be separated from the dynamic of the total quantum state via a time-dependent projector-based formalism of adiabatic elimination. Within our formalism, we assume explicit time…
Using numerical simulations of two-photon electronic absorption with femtosecond pulses in Na$_2$ we show that: i) it is possible to avoid the characteristic saturation or dumped Rabi oscillations in the yield of absorption by time-delaying…
A typical goal of a quantum simulation is to find the energy levels and eigenstates of a given Hamiltonian. This can be realized by adiabatically varying the system control parameters to steer an initial eigenstate into the eigenstate of…
Adiabatic elimination is a perturbative model reduction technique based on timescale separation and often used to simplify the description of composite quantum systems. We here analyze a quantum experiment where the perturbative expansion…
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…
We experimentally demonstrate coherent control of the nonlinear response of optical second harmonic generation in resonant nanostructures beyond the weak-field regime. Contrary to common perception, we show that maximizing the intensity of…