Compton profile of molecular hydrogen

The Compton profile of molecular hydrogen has been determined at an incident photon energy of 20 ke V based on the third generation synchrotron radiation, and the statistical accuracy of 0.2% is achieved at p z = 0. Different theoretical methods, i.e., the density functional method, and the Hartree–Fock method, were used to calculate the Compton profiles of hydrogen with different basis sets, and the theoretical calculations are in agreement with the experimental observation in the whole p z region. Compared with the HF calculation, the DFT-B3 LYP ones are in better agreement with the present experiment, which indicates the electron correlation effect is very important to describe the wavefunction in the ground state of hydrogen.

Applications of Compton scattering

Compton scattering is used very widely. In this article, we depict an overall picture for its applications which are based on two basic theories. The first is the electron densitometry theory related to electron density. According to this theory its applications are in two fields: one is Compton scatter densitometry (CSD), the other is Compton scatter imaging (CSI). The second technique involves the electron momentum distribution and Compton profile. Applications of this technique are mainly the Compton profile analysis (CPA) and the Compton profile or the electron momentum distribution in physics and chemistry. Future research fields are suggested according to the current situation and limits of this technique and a promising prospect is unfolded.

Dielectronic recombination and resonant transfer excitation processes for helium-like krypton

The relativistic configuration interaction method is employed to calculate the dielectronic recombination（DR） cross sections of helium-like krypton via the 1s2lnl ＇（n = 2,3,...,15） resonances.Then,the resonant transfer excitation（RTE） processes of Kr 34＋ colliding with H,He,H 2,and CH x（x = 0-4） targets are investigated under the impulse approximation.The needed Compton profiles of targets are obtained from the Hartree-Fock wave functions.The RTE cross sections are strongly dependent on DR resonant energies and strengths,and the electron momentum distributions of the target.For H 2 and H targets,the ratio of their RTE cross sections changes from 1.85 for the 1s2l2l ＇ to 1.88 for other resonances,which demonstrates the weak molecular effects on the Compton profiles of H 2.For CH x（x = 0-4） targets,the main contribution to the RTE cross section comes from the carbon atom since carbon carries 6 electrons;as the number of hydrogen increases in CH x,the RTE cross section almost increases by the same value,displaying the strong separate atom character for the hydrogen.However,further comparison of the individual orbital contributions of C（2p,2s,1s） and CH 4（1t 2,2a 1,1a 1） to the RTE cross sections shows that the molecular effects induce differences of about 25.1%,19.9%,and 0.2% between 2p-1t 2,2s-2a 1,and 1s-1a 1 orbitals,respectively.

Cross section of the impact single ionization of B^(2+) by H^+

The ionization process of B2＋ by H＋ impact is studied using the continuum-distorted-wave eikonal-initial-state （CDW-EIS） method and the modified free electron peak approximation （M-FEPA）, respectively. Total, single-, and double- differential cross sections from ls and 2s orbitals are presented for the energy range from 10 keV/u to 10 MeV/u. Com- parison between the results from the two methods demonstrates that the total and single-differential cross sections for the high-energy incident projectile case can be well evaluated using the simple M-FEPA model. Moreover, the M-FEPA model reproduces the essential features of the binary-encounter （BE） bump in the double-differential cross sections. Thus, the BE ionization mechanism is discussed in detail by adopting the M-FEPA model. In particular, the double- and single- differential cross sections from the 2s orbital show a high-energy hip, which is different from those from the ls orbital. Based on Ref. [1], the Compton profiles of B2＋ for ls and 2s orbitals are given, and the hips in DDCS and SDCS from the 2s orbital are explained.

Dielectronic recombination and resonant transfer excitation processes for helium-like krypton

The relativistic configuration interaction method is employed to calculate the dielectronic recombination(DR) cross sections of helium-like krypton via the 1s2lnl ’(n = 2,3,...,15) resonances.Then,the resonant transfer excitation(RTE) processes of Kr 34+ colliding with H,He,H 2,and CH x(x = 0-4) targets are investigated under the impulse approximation.The needed Compton profiles of targets are obtained from the Hartree-Fock wave functions.The RTE cross sections are strongly dependent on DR resonant energies and strengths,and the electron momentum distributions of the target.For H 2 and H targets,the ratio of their RTE cross sections changes from 1.85 for the 1s2l2l ’ to 1.88 for other resonances,which demonstrates the weak molecular effects on the Compton profiles of H 2.For CH x(x = 0-4) targets,the main contribution to the RTE cross section comes from the carbon atom since carbon carries 6 electrons;as the number of hydrogen increases in CH x,the RTE cross section almost increases by the same value,displaying the strong separate atom character for the hydrogen.However,further comparison of the individual orbital contributions of C(2p,2s,1s) and CH 4(1t 2,2a 1,1a 1) to the RTE cross sections shows that the molecular effects induce differences of about 25.1%,19.9%,and 0.2% between 2p-1t 2,2s-2a 1,and 1s-1a 1 orbitals,respectively.

Hydrogen mean force and anharmonicity in polycrystalline and amorphous ice

The hydrogen mean force from experimental neutron Compton profiles is derived using deep inelastic neutron scattering on amorphous and polycrystalline ice. The formalism of mean force is extended to probe its sensitivity to anharmonicity in the hydrogen-nucleus effective potential. The shape of the mean force for amorphous and polycrystalline ice is primarily determined by the anisotropy of the underlying quasi-harmonic effective potential. The data from amorphous ice show an additional curvature reflecting the more pronounced anharmonicity of the effective potential with respect to that of ice Ih.