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121.
Ab initio self-consistent DFS calculations are performed for five different symmetric atomic systems from Ar-Ar to Pb-Pb. The level structure for the 2p π - 2p σ crossing as function of the united atomic chargeZ u is studied and interpreted. Manybody effects, spin-orbit splitting, direct relativistic effects as well as indirect relativistic effects are differently important for differentZ u. For the I-I system a comparison with other calculations is given. 相似文献
122.
The interatomic potential of the system I-I at intermediate and small distances is calculated from atomic DFS electron densities within a statistical model. Structures in the potential, due to the electronic shells, are investigated. Calculations of the elastic differential scattering cross section for small angles and several keV impact energies shoe a detailed peak pattern which can be correlated to individual electronic shell interaction. 相似文献
123.
An upright cylindrical container blasted into the rock is filled instantaneously with a warm liquid. Heat is transferred from the liquid into the surrounding rock and the open air. The temperature of the liquid and the surrounding rock is determined as a function of time.The differential equation and the auxiliary conditions of the transient heat conduction problem are Laplace transformed, the subsidiary equations are solved by two-dimensional relaxation, and the resulting temperature is obtained by means of numerical inversion of the Laplace transform.The results are presented numerically and graphically. 相似文献
124.
In this paper a problem on transient heat conduction in the walls of a gas channel with a rectangular cross-section is solved. The temperature of the gas flow in the channel rises linearly while the temperature of the surrounding open air is constant.The differential equation and its auxiliary conditions are Laplace transformed, the subsidiary equations are solved by a method resembling the two-dimensional relaxation method for steady state heat conduction problems, and the resulting temperatures are obtained by numerical inversion.Numerical results are presented at the end of the paper. 相似文献
125.
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127.
Johanna Sepp 《Fresenius' Journal of Analytical Chemistry》1960,174(5):383
Ohne Zusammenfassung 相似文献
128.
Yrjö Seppälä 《BIT Numerical Mathematics》1966,6(3):212-227
Data processing nowadays represents a considerable investment and it is important to use computers as efficiently as possible. Criteria separating the best alternative from other ones would be very useful.In this article we have tried to find some criteria for the optimization of register maintenance applying the simplest methods of operations research. In particular the use of a change register has been investigated. 相似文献
129.
Jukka Jokisaari 《Magnetic resonance in chemistry : MRC》1978,11(3):157-159
The 13C? 13C spin–spin coupling constants in natural abundance oxetane, thietane, cyclobutanone, bromo-and chlorocyclobutane have been measured. Furthermore, the 13C isotope-induced changes in the chemical shifts of the different 13C nuclei in the molecules mentioned above are reported. These shifts are normally to higher magnetic field; in cyclobutanone, however, the resonance of the carbonyl carbon has shifted to lower field because of the substitution of 13C?3 for 12C?3. 相似文献
130.
Using a relativistic selfconsistent correlation diagram a first interpretation of the shape and position of L MO X-rays is given within a quasi-adiabatic model. 相似文献