A. Chen

Université Paris-Saclay · CNRS, CEA-Saclay, Maison de la Simulation

A Smolyak algorithm adapted to system-bath separation is proposed for rigorous quantum simulations. This technique combines a sparse grid method with the system-bath concept in a specific configuration without limitations on the form of the Hamiltonian, thus achieving a highly efficient convergence of the excitation transitions for the "system" par...

We demonstrate the control of electron-electron correlation in frustrated double ionization (FDI) of the two-electron triatomic molecule D$_{3}^{+}$ when driven by two orthogonally polarized two-color laser fields. We employ a three-dimensional semi-classical model that fully accounts for the electron and nuclear motion in strong fields. We analyze...

A three-dimensional semiclassical model is used to study double ionization of Ar when driven by a near-infrared and near-single-cycle laser pulse for intensities ranging from 0.85$\times$10$^{14}$ W/cm$^{2}$ to 5$\times$10$^{14}$ W/cm$^{2}$. Asymmetry parameters, distributions of the sum of the two electron momentum components along the direction o...

We study the phase diagram of one-dimensional two-component attractive fermions on optical lattices with an off-diagonal confinement. We identify in this system a pure Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state with spatially modulated superfluidity and polarization in a large parameter window, which provides an easier playground in which to det...

In this paper, we report on the performance of various quantum molecular dynamics simulation methods in describing the photo-induced nonadiabatic dynamics underlying the isomerization process of the retinal chromophore in rhodopsin. We focus on purely quantum vibronic wavepacket techniques and on various trajectory-based schemes, discussing their c...

The nature of electronic motion and structural information of atoms and molecules is encoded into strong field induced radiations ranging from terahertz (THz) to extreme ultraviolet wavelength. The dependence of THz yields in bichomatic laser fields on ellipticity and interpulse time delay were experimentally measured, and the trajectory-based calc...

In this paper, we report on the performance of various quantum molecu- lar dynamics simulation methods in describing the photo-induced nonadi- abatic dynamics underlying the isomerization process of the retinal chromophore in rhodopsin. We focus on purely quantum vibronic wavepacket techniques and on various trajectory-based schemes, discussing the...

A molecular rotation assisted non-sequential double ionization (MR-NSDI) mechanism is identified in the breakup of rotational H$_2$ molecules in a few-cycle intense laser pulse using a semi-classical trajectory Monte Carlo method. Applying a molecular source in an appropriate rotational state could intensively boost NSDI probability, forming an add...

A Smolyak algorithm adapted to system-bath separation is proposed for rigorous quantum simulations. This technique combines a sparse grid method with the system-bath concept in a specific configuration without limitations on the form of the Hamiltonian, thus achieving a highly efficient convergence of the excitation transitions for the "system" par...

A parallelized quantum dynamics package using the Smolyak algorithm for general molecular simulation is introduced in this work. The program has no limitation of the Hamiltonian form and provides high flexibility on the simulation setup to adapt to different problems. Taking advantage of the Smolyak sparse grids formula, the simulation could be per...

In this dissertation we investigate the underlying mechanisms for double ionisation in atoms and frustrated double ionisation in multi-centre molecules. We first study the main mechanisms that underlie non-sequential double ionisation in atoms that are driven by near-single-cycle intense laser fields. Unlike long laser pulses, short ones allow for...

In this paper, we numerically solve the thermodynamic Bethe-ansatz coupled equations for a one-dimensional Hubbard model at finite temperature and obtain the second order thermodynamics properties, such as the specific heat, compressibility, and susceptibility. We find that these three quantities could embody the phase transitions of the system, fr...

Using a semi-classical model, we study the formation of highly excited neutral fragments during the fragmentation of $\mathrm{H_3^+}$, a two-electron triatomic molecule, driven by an intense near-IR laser field. To do so, we first formulate a microcanonical distribution for arbitrary one-electron triatomic molecules. We then study frustrated double...

Using a semi-classical model, we investigate frustrated double ionization (FDI) in $\mathrm{D_3^+}$, a two-electron triatomic molecule, when driven by an intense, linearly polarized, near-infrared (800 nm) laser field. We do so using a semi-classical model. We find a good agreement between experiment and our model. We explore the two pathways of FD...

We investigate multi-electron effects in strong-field ionization of Helium using a semi-classical model that, unlike other commonly used theoretical approaches, takes into account electron-electron correlation. Our approach has an additional advantage of allowing to selectively switch off different contributions from the parent ion (such as the rem...

We formulate a microcanonical distribution for an arbitrary one-electron triatomic molecule. This distribution can be used to describe the initial state in strongly-driven two-electron triatomic molecules. Namely, in many semiclassical models that describe ionization of two-electron molecules driven by intense infrared laser fields in the tunneling...

The one-dimensional system interacting via a delta-function interparticle interaction is a very important one in cold atomic systems and has fundamental importance in many-body physics. In one dimension, due to the geometric confinement induced quantum correlations and quantum fluctuations, there may exist a number of unusual phenomena, such as spi...

The demixing of two-component fermions in optical lattices under a spin-dependent external potential is investigated using the density-matrix renormalization group method. The influence of on-site interactions (u) and the ratio of the spin-dependent external potentials (γ) on the demixing is discussed. The γ−u state diagram is numerically mapped ou...

The derivative discontinuity of the exchange-correlation (xc) energy at an integer particle number is a property of the exact, unknown xc functional of density functional theory (DFT) which is absent in many popular local and semilocal approximations. In lattice DFT, approximations exist which exhibit a discontinuity in the xc potential at half-fil...

According to the exact analytical Bethe-ansatz solution of the one-dimensional spin-1/2 XXZ model, we perform a numerical study of one-dimensional spinless fermions in an optical lattice in the presence of harmonic potential by using a local density approximation. We study the density profile, and obtain the ρ̃-u phase diagram (here ρ̃ = N f √V 2/t...

We investigate the phase separation in one-dimensional Fermi gases on optical lattices. The density distributions and the magnetization are calculated by means of density-matrix renormalization method. The phase separation between spin-up and spin-down atoms is induced by the interplay of the spin-dependent harmonic confinement and the strong repul...