Nuclear signatures on the molecular harmonic emission and the attosecond pulse generation

Abstract

Molecular vibrations of methane molecules in the structure I clathrate hydrate from ab initio molecular dynamics simulation J. Chem. Phys. 136, 044508 (2012) Many-body effects are essential in a physically motivated CO2 force field J. Chem. Phys. 136, 034503 (2012) Phonon-mediated path-interference in electronic energy transfer J. Chem. Phys. 136, 024112 (2012) Rotational dynamics of solvated carbon dioxide studied by infrared, Raman, and time-resolved infrared spectroscopies and a molecular dynamics simulation J. Chem. Phys. 136, 014508 (2012) Vibrationally averaged post Born-Oppenheimer isotopic dipole moment calculations approaching spectroscopic accuracy J. Chem. Phys. 135, 244313 (2011) Additional information on J. Chem. Phys. In this paper, we theoretically investigate the nuclear signatures effects, i.e., the initial vibrational state and the isotopic effects on the generations of the molecular high-order harmonics and the attosecond pulses when the model H 2 + /D 2 + ions are exposed to a 5 fs/800 nm chirp pulse. The numerical solution of the time-dependent Schrödinger equation for these vibrating molecule ions shows that the intensities of the harmonic spectra are reinforced with the enhancement of the initial vibrational state. Moreover, through the investigation of the isotopic effect, we find that more intense harmonics are generated in the lighter nucleus. Furthermore, by optimizing the chirp pulse under the optimal initial vibrational state, an intense ultrabroad supercontinuum with a 325 eV bandwidth can be obtained. By properly superposing the harmonic spectrum, an attosecond pulse as short as 57 as (16 as) is generated without (with) phase compensation.

Intensity enhancement in the molecular ionization and dissociation dynamics in the presence of noise

“…This 1+1D model has been tested by others [26][27][28][29][30][31] and by ourselves [32], showing a qualitatively agreement with the experimental measurements. Using this model, we carried out a detailed investigation when the diatomic molecular ion (H 2 + ) is irradiated by an intense infrared laser field in combination with a noise field where either a Gaussian white noise or a color noise is considered.…”

Quantum path control on the harmonic emission in the presence of a terahertz field

“…In our calculations, the HHG and the attosecond pulse can be investigated by solving the time-dependent Schrödinger equation (TDSE) [30][31][32][33][34][35][36][37][38] based on single-active electron approximation. In the dipole approximation and the length gauge, the TDSE is given by,…”

Single quantum path control by a fundamental chirped pulse combined with a subharmonic control pulse

“…In our numerical calculations, the HHG and the attosecond pulse generations can be investigated by solving the time-dependent Schrödinger equation (TDSE) [34][35][36][37]. In the dipole approximation and the length gauge, the TDSE is given by,…”