Related papers: Time-dependent ab__initio molecular-orbital decomp…
From configuration interaction (CI) ab initio calculations, we derive an effective two-orbital extended Hubbard model based on the gerade (g) and ungerade (u) molecular orbitals (MOs) of the charge-transfer molecular conductor (TTM-TTP)I_3…
We present a variational augmentation procedure to optimize the exponents of Gaussian continuum basis sets for simulating strong-field laser ionization phenomena such as higher harmonic generation (HHG) in atoms and ions using the…
High-harmonic generation (HHG) from solid state offers promising potential for attosecond optics with enhanced efficiency and compact configurations. However, Current implementations face critical limitations imposed by material damage…
High-harmonic generation by a laser-driven solid slab is simulated using time-dependent density functional theory. Multiple harmonic plateaus up to very high harmonic orders are observed already at surprisingly low field strengths. The full…
We analyze the gravitational wave signals with a model-independent time-frequency analysis, which is improved from the Hilbert-Huang transform (HHT) and optimized for characterizing the frequency variability on the time-frequency map.…
We present a first-principles-based multiscale simulation framework for quantitative predictions of the high-energy part of the Ultraviolet Photoelectron Spectroscopy (UPS) spectra of amorphous molecular solids. The approach combines a…
High-harmonic spectroscopy driven by circularly-polarized laser pulses and their counter-rotating second harmonic is a new branch of attosecond science which currently lacks quantitative interpretations. We extend this technique to the…
High Harmonic Generation (HHG) promises to provide insight into ultrafast dynamics and has been at the forefront of attosecond physics since its discovery. One class of materials that demonstrate HHG are Mott insulators whose electronic…
With a combination of numerical methods, including quantum Monte Carlo, exact diagonalization, and a simplified dynamical mean-field model, we consider the attosecond charge dynamics of electrons induced by strong-field laser pulses in…
High-order harmonic generation (HHG) is a fundamental process which can be simplified as the production of high energetic photons from a material subjected to a strong driving laser field. This highly nonlinear optical process contains rich…
We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that…
Generation of high-order harmonics in gases enabled to probe the attosecond electron dynamics in atoms and molecules with unprecedented resolution. Extending the techniques developed originally for atomic and molecular gases to solid state…
We make a systematic study of high-order harmonic generation (HHG) in a He$^+$-like model ion when the initial states are prepared as a coherent superposition of the ground state and an excited state. It is found that, according to the…
We consider the interaction of gapped graphene in the two-band approximation using an explicit time-dependent approach. In addition to the full high-order harmonic generation (HHG) spectrum, we also obtain the perturbative harmonic response…
This Letter brings together two topics that, until now, have been the focus of intense but non-overlapping research efforts. The first concerns high harmonic generation in solids, which occurs when intense light field excites highly…
We investigate the effect of dynamic electron correlation on high-harmonic generation in helium atoms using intense visible light (\lambda=390nm). Two complementary approaches are used which account for correlation in an approximate manner:…
We find that a donor-doped band-gap material can enhance the overall high-order harmonic generation (HHG) efficiency by several orders of magnitude, compared with undoped and acceptor-doped materials. This significant enhancement, predicted…
A calculation of the high-harmonic generation (HHG) in $\alpha$-quartz using the time-dependent density functional theory is reported. The inter-band process is attributed to the dominant in HHG above the band gap. The photon energy is set…
The orientation-dependent strong-field ionization of CO molecules is investigated using the fully propagated three-dimensional time-dependent Hartree-Fock theory. The full ionization results are in good agreement with recent experiments.…
Interferometry is a fundamental technique in physics, enabling precise measurements through the interference of waves. High-harmonic generation (HHG) in solids has emerged as a powerful method for probing ultrafast electronic dynamics…