Self-Consistent Field and Some X-Ray Terms of the Sodium Atom

1934 ◽  
Vol 46 (12) ◽  
pp. 1034-1040 ◽  
Author(s):  
E. H. Kennard ◽  
E. Ramberg
Keyword(s):  
Sodium Atom ◽  
X Ray ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Self-Consistent Field Calculations of X-Ray Emission Spectra of Surface Adsorbates and Polymers

1997 ◽  
Vol 7 (C2) ◽  
pp. C2-515-C2-516
Author(s):  
H. Agren ◽  
L. G.M. Pettersson ◽  
V. Carravetta ◽  
Y. Luo ◽  
L. Yang ◽  
...  
Keyword(s):  
Emission Spectra ◽  
X Ray ◽  
Consistent Field ◽  
Self Consistent ◽  
Surface Adsorbates ◽  
Self Consistent Field

SCATTERING FACTORS FOR SOME OF THE HEAVIER ATOMS

1959 ◽  
Vol 37 (9) ◽  
pp. 967-969 ◽  
Author(s):  
Beatrice H. Worsley
Keyword(s):  
Wave Functions ◽  
Radial Wave ◽  
X Ray ◽  
University Of Toronto ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Atomic Scattering ◽  
Approximate Wave ◽  
The University

A program for calculating X-ray atomic scattering factors from the radial wave functions has been written for the IBM 650 installation at the University of Toronto. It has been applied to the results of self-consistent field calculations previously performed at this University on the FERUT computer. Results are given for Ne, V++, Kr, Ag+, and Pb+++. The results for Ne and V++ are compared with those calculated by Freeman using Allen's wave functions for Ne and Hartree's approximate wave functions for V++.

scholarly journals Optimizing self-consistent field theory block copolymer models with X-ray metrology

2018 ◽  
Vol 3 (2) ◽  
pp. 376-389 ◽  
Author(s):  
Adam F. Hannon ◽  
Daniel F. Sunday ◽  
Alec Bowen ◽  
Gurdaman Khaira ◽  
Jiaxing Ren ◽  
...  
Keyword(s):  
Field Theory ◽  
Block Copolymer ◽  
X Ray ◽  
X Ray Scattering ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Ray Scattering

Self-consistent field theory is optimized through comparisons with X-ray scattering metrology.

Self-consistent field calculations of X-ray emission spectra of surface adsorbates: COCu(100)

1996 ◽  
Vol 369 (1-3) ◽  
pp. 146-158 ◽  
Author(s):  
Vincenzo Carravetta ◽  
Lars G.M. Pettersson ◽  
Olav Vahtras ◽  
Hans Ågren
Keyword(s):  
Emission Spectra ◽  
X Ray ◽  
Consistent Field ◽  
Self Consistent ◽  
Surface Adsorbates ◽  
Self Consistent Field

scholarly journals Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory

2017 ◽  
Vol 118 (9) ◽  
Author(s):  
Yufeng Liang ◽  
John Vinson ◽  
Sri Pemmaraju ◽  
Walter S. Drisdell ◽  
Eric L. Shirley ◽  
...  
Keyword(s):  
Perturbation Theory ◽  
Many Body ◽  
X Ray ◽  
Field Approach ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Many Body Perturbation Theory

The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part II. Some Results and Discussion

1928 ◽  
Vol 24 (1) ◽  
pp. 111-132 ◽  
Author(s):  
D. R. Hartree
Keyword(s):  
Wave Equation ◽  
Energy Parameter ◽  
The Self ◽  
Central Field ◽  
Core Electron ◽  
X Ray ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Core Electrons

The methods of solution of the wave equation for a central field given in the previous paper are applied to various atoms. For the core electrons, the details of the interaction of the electrons in a single nk group are neglected, but an approximate correction is made for the fact that the distributed charge of an electron does not contribute to the field acting on itself (§2).For a given atom the object of the work is to find a field such that the solutions of the wave equation for the core electrons in this field (corrected as just mentioned for each core electron) give a distribution of charge which reproduces the field. This is called the self-consistent field, and the process of finding it is one of successive approximation (§ 3).Approximations to the self-consistent field have been found for He (§ 4), Rb+ (§ 5), Na+, Cl− (§ 9). For He the energy parameter for the solution of the wave equation for one electron in the self-consistent field of the nucleus and the other corresponds to an ionisation potential of 24·85 volts (observed 24·6 volts); this agreement suggests that for other atoms the values of the energy parameter in the self-consistent field (corrected for each core electron) will probably give good approximations to the X-ray terms (§4).The most extensive work has been carried out for Rb+. The distribution of charge given by the wave functions in the self-consistent field is compared with the distribution calculated by other methods (§ 6). The values of X-ray and optical terms calculated from the self-consistent field show satisfactory agreement with those observed (§ 7).The wave mechanical analogue of the case in which on the orbital model an internal and an external orbit of the same energy are possible is discussed (§ 8).

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