Explores basis set solutions for the time-dependent Schrödinger equation with a time-dependent Hamiltonian, including special cases like Gaussian wave packets.
Explores Computational Molecular Design, focusing on Mathematical Theory, High Performance Computing, and In Vivo Experiments, with an emphasis on quantum chemistry and electron dynamics.
Introduces path integral molecular dynamics and its applications in quantum mechanics, focusing on nuclear quantum effects and their implications for molecular simulations.
Explores Car-Parrinello molecular dynamics, a unified approach combining molecular dynamics and density-functional theory for simulating various systems, with a focus on historical background, technical details, and challenges in atomistic simulations.
Introduces optical methods in chemistry, covering ray optics, lasers, spectroscopy, and X-ray physics, emphasizing light-matter interactions and Nobel Prize-winning advancements.
Explores the photon concept in electromagnetic waves, including energy, momentum, emission by charges, coherence length, and the electromagnetic spectrum.
