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11.
Hyperfine Interactions - Rotational J=1→J=0 transitions in muonic molecule, (3Heμd) J ++, in [(3Heμd)++,2e]–D and [(3Heμd)++,e]+–D collisions are considered. The... 相似文献
12.
S. Zschocke G. Plunien G. Soff 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,19(2):147-156
The renormalization method of Bogoljubov-Parasiuk-Hepp-Zimmermann (BPHZ) is used in order to derive the renormalized energy
shift due to the gauge invariant K?llén-Sabry diagram of the two-photon vacuum polarization (VPVP) as well as the self energy
vacuum polarization S(VP)E beyond the Uehling approximation. It is outlined, that no outer renormalization is required for
the two-photon vacuum polarization and that only the inner renormalization has to be accomplished. It is shown that the so-called
nongauge invariant spurious term is absent for a wide class of vacuum polarization (VP) diagrams if one applies the widely
used spherical expansion of bound and free-electron propagator. This simplifies significantly calculations in bound state
quantum electrodynamics. As one result of our paper the use of the BPHZ-approach in bound state QED is established.
Received 28 September 2001 相似文献
13.
The vibronic spectra of charge transfer excitons (CTE) in a molecular one-component or alternatingly ordered two-component chain are treated in the framework of a dynamic approach (neglecting thermal excitations of the intramolecular vibrations). The model introduces two mechanisms of coupling between CTEs and vibrational quanta: (1) shift of the equilibrium positions of the nuclei in the ionized donor or acceptor; (2) change of the vibrational frequency in the ionized molecule. This model allows to generalize the simple CTE Hamiltonian and the vibronic Hamiltonian of Frenkel excitons. The linear optical susceptibility is calculated in the vibronic region (one CTE and one vibrational quantum). The double splitting of vibronics of CTEs was analyzed: (1) the splitting connected with the location of the intramolecular vibration on the donors or on the acceptors; (2) the splitting connected with the symmetry of the vibronic spectra (in the degenerate case). The general structure of the vibronic spectra of CTEs is established. It contains structureless absorption lines, which correspond to two-particle bands (the phonon is excited on a neutral molecule neighboring the donor or the acceptor) and Lorentz-type lines of one-particle states, which correspond to the bound propagation of the CTE and the phonon. 相似文献
14.
We considered the kaon absorption from atomic states into the nucleus. We found that the nuclear density probed by the atomic
kaon significantly depends on the kaon orbit. Then, we re-examined the meanings of the observed strengths of one-body and
two-body kaon absorption, and investigated the effects to the formation spectra of kaon bound states by in-flight (K
-, p) reactions. As a natural consequence, if the atomic kaon probes a smaller nuclear density, the ratio of the two-body absorption
at nuclear center is larger than the observed value in kaonic atoms, and the depth of the imaginary potential is deeper even
at smaller kaon energies as in kaonic nuclear states because of the large phase space for the two-body processes. This deeper
imaginary potential makes the signals of kaonic nucleus formation more unclear in the (K
-, p) spectra. 相似文献
15.
A. Vukics H. Ritsch 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,44(3):585-599
We present a framework for efficiently performing Monte Carlo
wave-function simulations in cavity QED with moving particles. It
relies heavily on the object-oriented programming paradigm as realised
in C++, and is extensible and applicable for simulating open
interacting qua
ntum dynamics in general. The user is provided with a
number of “elements”, e.g. pumped moving particles, pumped lossy
cavity modes, and various interactions to compose complex interacting
systems, which contain several particles moving in electromagnetic
fields of various configurations, and perform wave-function
simulations on such systems. A number of tools are provided to
facilitate the implementation of new elements. 相似文献
16.
David Loffreda 《Surface science》2006,600(10):2103-2112
Adsorption thermodynamics based on density functional theory (DFT) calculations are exposed for the interaction of several multifunctional molecules with Pt and Au(1 1 0)-(1 × 2) surfaces. The Gibbs free adsorption energy explicitly depends on the adsorption internal energy, which is derived from DFT adsorption energy, and the vibrational entropy change during the chemisorption process. Zero-point energy (ZPE) corrections have been systematically applied to the adsorption energy. Moreover the vibrational entropy change has been computed on the basis of DFT harmonic frequencies (gas and adsorbed phases, clean surfaces), which have been extended to all the adsorbate vibrations and the metallic surface phonons. The phase diagrams plotted in realistic conditions of temperature (from 100 to 400 K) and pressure (0.15 atm) show that the ZPE corrected adsorption energy is the main contribution. When strong chemisorption is considered on the Pt surface, the multifunctional molecules are adsorbed on the surface in the considered temperature range. In contrast for weak chemisorption on the Au surface, the thermodynamic results should be held cautiously. The systematic errors of the model (choice of the functional, configurational entropy and vibrational entropy) make difficult the prediction of the adsorption-desorption phase boundaries. 相似文献
17.
Adsorption structures of the pentacene (C22H14) molecule on the clean Si(0 0 1)-2 × 1 surface were investigated by scanning tunneling microscopy (STM) in conjunction with density functional theory calculations and STM image simulations. The pentacene molecules were found to adsorb on four major sites and four minor sites. The adsorption structures of the pentacene molecules at the four major sites were determined by comparison between the experimental and the simulated STM images. Three out of the four theoretically identified adsorption structures are different from the previously proposed adsorption structures. They involve six to eight Si-C covalent chemical bonds. The adsorption energies of the major four structures are calculated to be in the range 67-128 kcal/mol. It was also found that the pentacene molecule hardly hopped on the surface when applying pulse bias voltages on the molecule, but was mostly decomposed. 相似文献
18.
Shoaib Ahmad 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(3):309-318
The mechanisms and processes of the formation of the regenerative soot in a graphite hollow cathode discharge that produces
and emits carbon clusters are presented. Mass spectrometry with a specially designed E×B velocity filter analyzes the entire range of the charged clusters from C
1 to ∼C
4300. The state of the carbon vapour within the source is evaluated by using the characteristic line emissions from the carbonaceous
discharge whose formative mechanisms depend upon the kinetic and potential sputtering of the sooted cathode. The carbonaceous
discharge generates atomic and ionic C and its clusters C
m (m≥ 2), noble gas metastable atoms and ions, energetic electrons and photons in the cavity of the graphite hollow cathode. The
parameters of soot formation and its recycling depend critically on the discharge parameters, the geometry of the hollow cathode
and 3D profile of the cusp magnetic field contours.
Received 2nd July 2001 and Received in final form 10 September 2001 相似文献
19.
偶氮苯衍生物三阶非线性的四波混频研究 总被引:7,自引:0,他引:7
用皮秒Nd:YAG激光器的倍频光(532nm)对具有离域π-共轭电子云结构的偶氮苯类样品材料作简并四波混频补给,测得三阶非线性电极化率x^(3)和它们的时间响应分别为10^-9esu和20ps,并对影响x^(3)的瞬时光栅作用和x^(3)的响应时间人了讨论。 相似文献
20.
F. Despa R. S. Berry 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2003,24(1-3):37-40
Interpretive theoretical tools prove valuable in guiding
the analysis of experiments in the realm of atomic clusters.
Here, we review basic elements of an analytic approach that
makes it possible to find and visualize the effective
electrostatic potential and Coulomb correlations in multicenter
problems. To illustrate the utility of these concepts we apply
them to exploring molecular-doped metallic clusters. This study
is aiming at a systematic, visual assessment of changes induced
in screening, Coulomb correlation and effective potential by
varying the charge of the electronegative impurity and its
position in the cluster cage. 相似文献