Dynamic quantum crystallography

Quantum crystallography.

Approximate wavefunctions can be improved by constraining them to reproduce observations derived from diffraction and scattering experiments. Conversely, charge density models, incorporating electron-density distributions, atomic positions and atomic motion, can be improved by supplementing diffraction experiments with quantum chemically calculated, tailor-made electron densities (form factors)...

Quantum Crystallography: Current Developments and Future Perspectives.

Crystallography and quantum mechanics have always been tightly connected because reliable quantum mechanical models are needed to determine crystal structures. Due to this natural synergy, nowadays accurate distributions of electrons in space can be obtained from diffraction and scattering experiments. In the original definition of quantum crystallography (QCr) given by Massa, Karle and Huang, ...

Quantum crystallography: electron density and bonding, a microsymposium.

Dynamic Powder Crystallography with Synchrotron X-ray Sources*

The increased brightness, tunability, low divergence and low emittance of X-ray beams available at synchrotron X-ray sources facilitate a variety of powder-diffraction experiments not practical using conventional in-house sources. Furthermore, the increased availability of fast position-sensitive detectors, along with implementation of improved software, make possible new classes of experiments...

Dynamic Quantum Logic for Quantum Programs

We present a way to apply quantum logic to the study of quantum programs. This is made possible by using an extension of the usual propositional language in order to make transformations performed on the system appear explicitly. This way, the evolution of the system becomes part of the logical study. We show how both unitary operations and two-valued measurements can be included in this formal...