Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
12 (1977), S. 925-935
ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
We have reduced the Breit-type equation written down for 3 electrons to the 8 large components of the wave function in the (v/c)2 (Pauli) approximation. This procedure required appropriate handling of the 64 scalar equations which result in this instance. According to the results obtained within the accuracy of (v/c)2 all the terms are the same as those obtained by summing up the terms of the reduced 2-electron Breit's equation to 3 electrons. This statement is no longer valid, however, if during the reduction procedure we would go beyond the (v/c)2 approximation. Finally there is a discussion about how to begin developing a relativistic many-electron theory valid for the inner shell electrons of heavy atoms within the accuracy of the fine structure constant.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560120513
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