Related papers: Vibrational Spectroscopy at Atomic Resolution with…
Since the discovery of electron-wave duality, electron scattering instrumentation has developed into a powerful array of techniques for revealing the atomic structure of matter. Beyond detecting local lattice variations in equilibrium…
Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes. However, the simulation of these systems requires addressing the formidable…
The vibrational entropy of a solid at finite temperature is investigated from the perspective of information theory. Ab initio molecular dynamics (AIMD) simulations generate ensembles of atomic configurations at finite temperature from…
Atomic resolution imaging is key to understanding thin film growth and how a particular set of conditions influences properties. Whilst such imaging in the scanning transmission electron microscope (STEM) has had transformative impact in…
Development of experimental techniques for characterization of magnetic properties at high spatial resolution is essential for progress in miniaturization of magnetic devices, for example, in data storage media. Inelastic scattering of…
Atomic force spectroscopy and microscopy (AFM) are invaluable tools to characterize nanostructures and biological systems. Most experiments, including state-of-the-art images of molecular bonds, are achieved by driving probes at their…
In what has been described as the fourth age of Quantum Chemistry, variational nuclear motion programs are now routinely being used to obtain the vibration-rotation levels and corresponding wavefunctions of small molecules to the sort of…
Despite decades of research, the ultimate goal of nanotechnology--top-down manipulation of individual atoms--has been directly achieved with only one technique: scanning probe microscopy. In this Review, we demonstrate that scanning…
Recent advances in scanning transmission electron microscopy (STEM) instrumentation have made it possible to focus electron beams with sub-atomic precision and to identify the chemical structure of materials at the level of individual…
We measure the resonance line shape of atomic vapor layers with nanoscale thickness confined between two sapphire windows. The measurement is performed by scanning a probe laser through resonance and collecting the scattered light. The line…
Experiments have shown that the internal vibrational state of a molecule can affect the intensity of high harmonic light generated from that molecule. This paper presents a model which explains this modulation in terms of interference…
Pathologies associated with calcified tissue, such as osteoporosis, demand in vivo and/or in situ spectroscopic analysis to assess the role of chemical substitutions in the inorganic component. High energy X-ray or NMR spectroscopies are…
We present ultra-fast quantum chemical methods for the calculation of infrared and ultraviolet-visible spectra designed to provide fingerprint information during autonomous and interactive explorations of molecular structures.…
Multi-dimensional spectroscopy represents a particularly insightful tool for investigating the interplay of nuclear and electronic dynamics, which plays an important role in a number of photophysical processes and photochemical reactions.…
Vibrational environments are commonly considered to be detrimental to the optical emission properties of solid-state and molecular systems, limiting their performance within quantum information protocols. Given that such environments arise…
We demonstrate a miniaturised and highly robust system for performing Doppler-free spectroscopy on thermal atomic vapour for three frequencies as required for cold atom-based quantum technologies. The application of additive manufacturing…
In this paper we present a state vector analysis of the generation of atomic spin squeezing by measurement of an optical phase shift. The frequency resolution is improved when a spin squeezed sample is used for spectroscopy in place of an…
Matterwaves made up of ultra-cold quantum-degenerate atoms have enabled the creation of tools having unprecedented sensitivity and precision in measuring gravity, rotation or magnetic fields. Applications range from gravitational wave…
In conventional optical Stark-shift spectroscopy, molecules are exposed to spatially homogeneous static electric fields that shift the energies of their spectral lines. These shifts are attributed to the molecular electronic properties,…
A general theory of electronic excitations in aggregates of molecules coupled to intramolecular vibrations and the harmonic environment is developed for simulation of the third-order nonlinear spectroscopy signals. The model is applied in…