Published July 1977 | Version v1
Journal article

Study of possibilities of calculation of atomic structures by the method of model potential

  • 1. Rostovskij-na-Donu Gosudarstvennyj Univ. (USSR)

Description

The possibility of calculation of energy position of individual levels of atomic structures by a model potential method has been shown. Values of ionization potentials of all the Ne levels and energy difference of 1P and 3P terms of 3p53d1Ca(3), Sc(4) configuration, which were calculated by the suggested method are in a good agreement with experimental values. It is shown, that additional accounting of a spherical part of ligand potential in an isolated ion model considerably improves calculation and experiment agreement of values of ionization potentials and Nsub(4,5) fine structure details -lanthanum absorption spectra

Additional details

Additional titles

Original title (Russian)
Исследование возможности расчета атомных структур методом модельного потенциала

Publishing Information

Journal Title
Zh. Strukt. Khim.
Journal Volume
18
Journal Issue
4
Series
Zh. Strukt. Khim.
Journal Page Range
635-643

Conference

Title
Roentgenoelectronic and roentgen spectra and electronic structure of metals, alloys and chemical compounds.
Dates
7 - 10 Sep 1976.
Place
Sverdlovsk, USSR.

INIS

Country of Publication
USSR
Country of Input or Organization
USSR
INIS RN
10447818
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ATOMIC MODELS; CONFIGURATION INTERACTION; D STATES; ELECTRONIC STRUCTURE; IONIZATION POTENTIAL; P STATES; SCANDIUM COMPOUNDS
Descriptors DEC
ENERGY LEVELS; MATHEMATICAL MODELS; TRANSITION ELEMENT COMPOUNDS

Optional Information

Notes
For English translation see the journal J. Struct. Chem.