相关论文: How the hydrogen bond in NH$_4$F is revealed with …
Recent x-ray Compton scattering experiments in ice have provided useful information about the quantum nature of the interaction between H$_2$O monomers. The hydrogen bond is characterized by a certain amount of charge transfer which could…
Understanding the hydration and diffusion of ions in water at the molecular level is a topic of widespread importance. The ammonium ion (NH$_4^+$) is an exemplar system that has received attention for decades because of its complex…
A direct measure of hydrogen bonding in water under conditions ranging from the normal state to the supercritical regime is derived from the Compton scattering of inelastically-scattered X-rays. First, we show that a measure of the number…
Neutron Compton Scattering measurements presented here of the momentum distribution of hydrogen in $KH_2PO_4$ (KDP) just above and well below the ferroelectric transition temperature show clearly that the proton is coherent over both sites…
Compton scattering is one of the fundamental interaction processes of light with matter. Already upon its discovery [1] it was described as a billiard-type collision of a photon kicking a quasi-free electron. With decreasing photon energy,…
The method and results of the first theory description of 4He Compton scattering at nuclear energies is presented, with a focus on figures. An upcoming publication [1] contains details and a comprehensive list of references.
The Compton scattering process plays significant roles in atomic and molecular physics, condensed matter physics, nuclear physics and material science. It could provide useful information on the electromagnetic interaction between light and…
Neutron Compton scattering measurements have the potential to provide direct information about atomic momentum distributions and adiabatic energy surfaces in condensed matter. First applied to measuring the condensate fraction in superfluid…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs)…
Compton scattering is one of the few spectroscopies which directly probes the ground state momentum density in materials. Recent progress in synchrotron light sources has brought a renewed interest in the technique as a tool for…
An effective Hamiltonian is considered for hydrogen bonding between two molecules due to the quantum mechanical interaction between the orbitals of the H-atom and the donor and acceptor atoms in the molecules. The Hamiltonian acts on two…
Bonding characteristics of liquid boron at 2500K are studied by using high resolution Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parinello molecular dynamics simulations. Covalent…
We review the current state of knowledge of the nucleon polarizabilities and of their role in nucleon Compton scattering and in hydrogen spectrum. We discuss the basic concepts, the recent lattice QCD calculations and advances in chiral…
We present a theoretical study of Compton scattering of X- and $\gamma$-rays by a $K$-shell electron. Special attention is paid to the double-differential cross section and polarization of the scattered photons for linearly polarized…
Deeply virtual Compton scattering is a fascinating process which can provide a tomographic view of nuclei and bound nucleons. The first experimental results for $^4$He targets, recently released at Jefferson Lab, have been analyzed here in…
Recent investigations by Fuchs et al. [Nat. Phys. 11, 964 (2015)] revealed an anomalous frequency shift in non-linear Compton scattering of high-intensity X-rays by electrons in solid beryllium. This frequency shift was at least 800 eV to…
Angular scattering in charge exchange and elastic collisions between interstellar ions and neutral (ISN) atoms has been assumed to be negligible in previous studies. Here, we investigated the momentum transfer associated with the angular…
The prototypical Hydrogen bond in water dimer and Hydrogen bonds in the protonated water dimer, in other small molecules, in water cyclic clusters, and in ice, covering a wide range of bond strengths, are theoretically investigated by…
Usually the ions in solid are in the positive oxidation states or in the negative oxidation state depending upon the chemical environment. It is highly unusual for an ion having both positive as well as negative oxidation state in a…