Configuration-average energy shift owing to configuration interaction

1989 ◽  
Vol 39 (9) ◽  
pp. 4599-4609 ◽  
Author(s):  
J. Oreg ◽  
W. H. Goldstein ◽  
A. Bar-Shalom ◽  
M. Klapisch
1977 ◽  
Vol 43 ◽  
pp. 41-41a
Author(s):  
B.C. Fawcett ◽  
G.E. Bromage ◽  
R.D. Cowan

Energy levels and oscillator strengths are calculated for the 3s23pn–3s23pn–13d transition arrays of Fe X, Fe XI, Fe XII and Fe XIII. The Slater radial integrals for these computations are adjusted so as to become consistent with established energy levels. Pertinent configuration interactions are included and the interaction integrals are reduced by up to 35% from values calculated ab initio, to achieve consistency.Initial theroretical calculations are made using the ab initio Hartree-X, Slater-Condon programme of Cowan (1967, 1968), the second of which now includes configuration interaction. The first programme computes values for the average energy of the configuration Eav, the electrostatic direct integrals Fk and exchange integrals Gk , the spin-orbit parameters ζ, and the configuration interaction integrals Rk. From these the second programme computes energy levels, wavelengths and oscillator strengths for the transition arrays concerned.


Author(s):  
О. О. Грицай ◽  
А. К. Гримало ◽  
В. В. Колотий

Author(s):  
David C. Joy ◽  
Suichu Luo ◽  
John R. Dunlap ◽  
Dick Williams ◽  
Siqi Cao

In Physics, Chemistry, Materials Science, Biology and Medicine, it is very important to have accurate information about the stopping power of various media for electrons, that is the average energy loss per unit pathlength due to inelastic Coulomb collisions with atomic electrons of the specimen along their trajectories. Techniques such as photoemission spectroscopy, Auger electron spectroscopy, and electron energy loss spectroscopy have been used in the measurements of electron-solid interaction. In this paper we present a comprehensive technique which combines experimental and theoretical work to determine the electron stopping power for various materials by electron energy loss spectroscopy (EELS ). As an example, we measured stopping power for Si, C, and their compound SiC. The method, results and discussion are described briefly as below.The stopping power calculation is based on the modified Bethe formula at low energy:where Neff and Ieff are the effective values of the mean ionization potential, and the number of electrons participating in the process respectively. Neff and Ieff can be obtained from the sum rule relations as we discussed before3 using the energy loss function Im(−1/ε).


Author(s):  
Jason R. Heffelfinger ◽  
C. Barry Carter

Yttria-stabilized zirconia (YSZ) is currently used in a variety of applications including oxygen sensors, fuel cells, coatings for semiconductor lasers, and buffer layers for high-temperature superconducting films. Thin films of YSZ have been grown by metal-organic chemical vapor deposition, electrochemical vapor deposition, pulse-laser deposition (PLD), electron-beam evaporation, and sputtering. In this investigation, PLD was used to grow thin films of YSZ on (100) MgO substrates. This system proves to be an interesting example of relationships between interfaces and extrinsic dislocations in thin films of YSZ.In this experiment, a freshly cleaved (100) MgO substrate surface was prepared for deposition by cleaving a lmm-thick slice from a single-crystal MgO cube. The YSZ target material which contained 10mol% yttria was prepared from powders and sintered to 85% of theoretical density. The laser system used for the depositions was a Lambda Physik 210i excimer laser operating with KrF (λ=248nm, 1Hz repetition rate, average energy per pulse of 100mJ).


2005 ◽  
Vol 113 (08) ◽  
Author(s):  
KM Oltmanns ◽  
UH Melchert ◽  
HG Scholand-Engler ◽  
C Guenther ◽  
B Schultes ◽  
...  
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