Dispersion interaction between helium atoms

Accurate values for the coefficients of the R^?6, R^?8 and R^?10 in the series representation of the dispersion interaction between two helium atoms at distance R are obtained by a simple variation method.     

The interaction of metastable helium atoms with alkali atoms

Using crossed beams of ground state alkali atoms A (A = Li, Na, K, Rb, Cs) and metastable He(2³ S), He(2¹ S) atoms, we have measured the energy spectra of electrons resulting in the respective Penning ionization processes at: thermal collision energies. The data are interpreted to yield the well depthD _e ^* of the²Σ interaction potentials as follows: He(2³ S)+A:D _e ^* (A=Li)=868(20) meV;D _e ^* (Na)=740(25) meV;D _e ^* (K)=591(24) meV;D _e ^* (Rb)=546(18) meV;D _e ^* (Cs)=533(18) meV. He(2¹ S)+A:D _e ^* (Li)=330(17) meV;D _e ^* (Na)=277(24) meV;D _e ^* (K)=202(23) meV;D _e ^* (Rb)=219(18) meV;D _e ^* (Cs)=277(18) meV. The well depth for He(2³ S)+A(²Σ) is always close to 80% of the well depth for Li(2s)+A(X ¹Σ). The ionization cross sections for He(2¹ S)+A are about 3 to 4 times larger than those for He(2³ S)+A.     

Total and angular differential cross sections of electrons emitted in collision between antiprotons and helium atoms

We present total and angular differential single-ionization cross sections for antiproton–helium collisions in the energy range of 1–1000 keV within the framework of time-dependent coupled-channel-, a continuum distorted wave eikonal initial state and classical trajectory Monte Carlo methods. The results are compared with other theoretical results and experimental data.     

Fourth-order diagrammatic MB-RSPT calculations of the interaction energy between two helium atoms

The efficiency of the MB-RSPT in the calculations of the correlation contributions to the interaction energies was investigated, using He₂ as a model Van der Waals system. The attention has been focused on the convergency of the perturbation expansion in the calculations of the interaction energy and on the analysis of the fourth-order terms of MB-RSPT. The rôle of the renormalization term in the correct long-range behaviour of the interaction potential has been emphasized.     

Bounds on dispersion coefficients for the interaction of helium atoms

We use a recently developed method to obtain tight bounds on multipole dispersion coefficients for the interaction of helium atoms.     

Low-temperature inelastic collisions between hydrogen molecules and helium atoms

Inelastic H(2):He collisions are studied from the experimental and theoretical points of view between 22 and 180 K. State-to-state cross sections and rates are calculated at the converged close-coupling level employing recent potential energy surfaces (PES): The MR-PES [J. Chem. Phys. 100, 4336 (1994)], and the MMR-PES and BMP-PESs [J. Chem. Phys. 119, 3187 (2003)]. The fundamental rates k(2-->0) and k(3-->1) for H(2):He collisions are assessed experimentally on the basis of a master equation describing the time evolution of rotational populations of H(2) in the vibrational ground state. These populations are measured in the paraxial region of supersonic jets of H(2)+He mixtures by means of high-sensitivity and high spatial resolution Raman spectroscopy. Good agreement between theory and experiment is found for the k(2-->0) rate derived from the MR-PES, but not for the BMP-PES. For the k(3-->1) rate, which is about one-third to one-half of k(2-->0), the result is less conclusive. The experimental k(3-->1) rate is compatible within experimental error with the values calculated from both PESs. In spite of this uncertainty, the global consistence of experiment and theory in the framework of Boltzmann equation supports the MR-PES and MMR-PESs, and the set of gas-dynamic equations employed to describe the paraxial region of the jet at a molecular level.     

Electronic energy transfer between metastable argon atoms and ground-state oxygen atoms

The transfer of electronic energy between metastable argon and ground-state oxygen atoms has been studied in a discharge-flow apparatus. The excitation energy of the argon metastables is transferred to the 3p ³P state of atomic oxygen with a cross section of 3 A². The energy transfer is discussed in terms of an ionic-intermediate, curve-crossing mechanism for which the calculated cross section is 13 A².     

Post collision interaction effects in the ionisation of helium and hydrogen by fast electrons

Conspicuous effects from a weak post collision interaction have been identified in triply differential cross sections for the ionisation of helium and hydrogen by fast electrons. A classical correction to a first Born approximation describes experimental data at smaller values of the momentum transfer.     

聚酰胺与稀土离子相互作用的研究

用热分析和傅里叶变换红外光谱法研究了尼龙6与稀土离子之间的相互作用。实验结果表明,当将稀土离子引入尼龙6体系后,可观察到以下几种效应：1)尼龙6的熔点显著降低。2)红外光谱结果表明,尼龙6-稀土体系熔化过程中,代表N－H伸缩振动的酰胺A带发生红移。3)尼龙6的酰胺Ⅰ和Ⅱ带区段,可观察到代表与稀土配位的酰胺基团的知,随着温度升高,尼龙6的酰胺Ⅰ,Ⅱ带吸光度降低而在1600cm^-^1附近的新峰的吸光度增加。     

Dispersion interaction between helium pair from hydrodynamic analogy to quantum mechanics

Frequency-dependent multipole polarizabilities of the He sequence have been calculated from a hydrodynamic model of quantum mechanics and using an independent-particle model Hamiltonian. Our present scheme is parallel to the uncoupled Hartree–Fock approximation so our values of polarizabilities, multipole transition energies and dispersion force coefficients between the He? He pair are comparable with earlier works using the uncoupled Hartree–Fock approximation.     

Correlated electron propagator theory and applications for open-shell atoms and molecules

A unitary group reformulation of electron propagator theory is used to derive the second-order and 2p – h Tamm–Dancoff self-energy approximations for open-shell applications. A highest weight representation of the reference state is chosen in order to facilitate matrix element evaluation, but two special cases precluded by this choice are also discussed. Detailed numerical calculations are described for the lithium atom, oxygen molecule, and the amidogen radical.     

Two mechanisms of the interaction between atoms and solids

The chemical action of atoms on solids can be due to both direct reactions with the structural units of solids and heterogeneous recombination energy transfer to the crystal lattice.

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谷胱甘肽与衡土离子作用的13^C NMR研究

本文利用顺磁稀土离子的诱导化学位移变化的性质, 研究了多官能团配体谷胱甘肽(GSH)与稀土的配位作用。在水溶液中GSH通过分子两端的羧基负离子与稀土形成遥爪配位结构。谷氨酸和甘氨酸羧基与Eu^3+的配位稳定常数分别为12.5±0.1L.mol和100.0±0.5L/mol。从13^C化学位移的pH变化曲线求得谷氨酸和甘氨酸羧基解离的pK~a值分别为2.20±0.02和3.50±0.04。对Dy^3+、Ho^3+、Er^3+、Tm^3+和Yb^3+作用下, GSH的13^C位移数据分析表明, 配体与这些离子形成同构的配合物, 分子两端羧基均可能以双齿形式与稀土配位。     

Laser-assisted electron-impact excitation of hydrogen and helium atoms

The excitation of H(1s–2s) and He(1¹ S–2¹ S) by electron impact in the presence of a nonresonant laser field is studied in the framework of the perturbation theory. The wavelength variation of the total cross section is presented at incident electron energies of 100 eV and 200 eV for hydrogen and 200 eV for helium. The use of pseudostates as intermediate states in the study of excitation of hydrogen is also investigated.