Description
Modeling nonlinear (NL) spectroscopy and molecular dynamics in molecules and materials is essential for understanding ultrafast processes and accurately interpreting experimental observations. Photoionization occurs on the attosecond timescale of electron motion, allowing direct insight into the dynamics of emitted electrons. These phenomena depend on multiple variables, which we have investigated theoretically and compared with available experimental results. Recent progress in experimental techniques and computational chemistry has significantly enhanced our capacity to study molecular interactions. At the same time, spectroscopic investigations of small molecules and related atomic and molecular (A&M) data remain crucial for astrophysical and plasma modeling.
High-precision spectroscopy of molecular ions contributes to diverse applications, including quantum-controlled chemistry, laser technology, measurements of fundamental constants, and astrochemistry. Particular attention is given to the photodissociation of diatomic ions such as N₂⁺ and CaH⁺, as well as ultrafast spectroscopic studies of trapped molecular ions.
This work explores radiative processes in small molecules and provides new spectroscopic data for hydrogen- and silicon-based systems. Spectral coefficients will be calculated across a wide temperature range in the extreme ultraviolet (EUV) region. The resulting datasets will facilitate theoretical modeling, support synchrotron experiments, and contribute to applications in laser physics, high-harmonic generation (HHG), X-ray free-electron laser (XFEL) science, plasma physics, and astrophysics. EUV HHG sources and XFELs serve as laboratory analogs of astrophysical radiation fields, enabling the production of precise atomic and molecular data and the simulation of radiation-driven processes.
