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951.
A. Surzhykov U. D. Jentschura T. Stöhlker S. Fritzsche 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2008,46(1):27-36
We apply the density matrix theory to re-investigate the radiative
electron capture into heavy ions with one valence electron. Attention
has been paid particularly to the magnetic sublevel population of the
residual ions, as described in terms of alignment parameters. Simple
method, based on an independent particle model, which takes
into account the Pauli principle, is proposed for evaluating the
alignment of the excited ionic states. By making use of this method,
detailed calculations are performed for electron capture into (initially) hydrogen-like and lithium-like europium, gold and
uranium ions, and are compared with the results of the multiconfiguration Dirac-Fock approach.As seen from the calculations
and from the comparison with available experimental results, the independent particle model provides a good estimate for the
alignment parameters of few-electron heavy ions. Therefore, our simple model may help to understand the basic properties of
the X-ray emission from heavy, few-electron ions without the need for invoking sophisticated MCDF calculations. 相似文献
952.
ZHENG Shi-Biao 《理论物理通讯》2001,(11)
A simplified scheme is proposed for the test of quantum nonlocality of the type described by Hardy [Phys.Rev.Left.71 (1993) 1665].In the scheme two appropriately prepared atoms are simultaneously sent through a cavity and dispersively interact with the cavity field.Then state-selective measurements are performed on these atoms,which may reveal quantum nonlocality without using Bell inequality.We also propose a simple scheme for the generation of multi-atom entangled states.`` 相似文献
953.
I. V. Avilov I. V. Filatov É. I. Zen'kevich A. M. Shul'ga 《Journal of Applied Spectroscopy》2001,68(1):14-25
We have made a theoretical analysis of the factors influencing the electronic absorption spectra of monomers of porphyrins and chlorins as well as of their chemically bound dimers in which the monomeric subunits are bound through the CH2–CH2 group. On the basis of quantum–chemical calculations by the semiempirical method CNDO/S it is shown that the addition of extra–ligands causes a change in the conformation of the dimers. 相似文献
954.
955.
递推与迭代在量子力学近似计算中的应用 总被引:1,自引:0,他引:1
综述了非简并微扰论和简并微扰论的递推形式,一维阶梯位势透射系数的递推计算及变化法的迭代形式,在给定的精度下,利用上述方法可以得到与精确解完全一致的效果。 相似文献
956.
Sture Nordholm 《Molecules (Basel, Switzerland)》2021,26(12)
Pauling introduced the concept of electronegativity of an atom which has played an important role in understanding the polarity and ionic character of bonds between atoms. We set out to define a related concept of atomic reactivity in such a way that it can be quantified and used to predict the stability of covalent bonds in molecules. Guided by the early definition of electronegativity by Mulliken in terms of first ionization energies and Pauling in terms of bond energies, we propose corresponding definitions of atomic reactivity. The main goal of clearly distinguishing the inert gas atoms as nonreactive is fulfilled by three different proposed measures of atomic reactivity. The measure likely to be found most useful is based on the bond energies in atomic hydrides, which are related to atomic reactivities by a geometric average. The origin of the atomic reactivity is found in the symmetry of the atomic environment and related conservation laws which are also the origin of the shell structure of atoms and the periodic table. The reactive atoms are characterized by degenerate or nearly degenerate (several states of the same or nearly the same energy) ground states, while the inert atoms have nondegenerate ground states and no near-degeneracies. We show how to extend the use of the Aufbau model of atomic structure to qualitatively describe atomic reactivity in terms of ground state degeneracy. The symmetry and related conservation laws of atomic electron structures produce a strain (energy increase) in the structure, which we estimate by use of the Thomas-Fermi form of DFT implemented approximately with and without the symmetry and conservation constraints. This simplified and approximate analysis indicates that the total strain energy of an atom correlates strongly with the corresponding atomic reactivity measures but antibonding mechanisms prevent full conversion of strain relaxation to bonding. 相似文献
957.
B. A. van Tiggelen 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2008,47(2):261-269
In this work we apply field regularization techniques to formulate a number of new phenomena related to momentum induced by
electromagnetic zero-point fluctuations. We discuss the zero-point momentum associated with magneto-electric media, with moving
media, and with
magneto-chiral media. 相似文献
958.
959.
S. L. Khursan A. M. Nazarov E. M. Chainikova V. D. Komissarov 《Russian Chemical Bulletin》2001,50(5):793-797
The absorption spectra and rate constants of diphenylcarbonyl oxide recombination in a series of solvents and their binary mixtures were determined by flash photolysis. An increase in the solvent polarity causes hypsochromic shift of the maximum in the absorption spectrum of Ph2COO. The analysis of the solvent effect on the recombination rate constant in terms of the four-parameter Koppel—Palm equation shows that the reactivity of carbonyl oxide depends on both specific and non-specific solvations. Quantum chemical B3LYP/6-31G(d) calculations of H2COO and PhHCOO carbonyl oxides as well as the complexes of H2COO with acetonitrile and ethylene in different media were performed using a polarized continuum model. 相似文献
960.
Motivated by the far-infrared transmission experiments of Demel et al., we have investigated the magnetoplasmon excitations in an array of quantum dots within the Thomas–Fermi–Dirac–von Weizsäcker (TFDW) approximation. Detailed calculations of the magnetic dispersion and power absorption from a uniform radiation field unambiguously demonstrates that the noncircular symmetry of the individual dots is responsible for the anticrossing behaviour observed in the experiments. The interdot Coulomb interaction is unimportant at the interdot separation of the samples studied. 相似文献