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Approximate Relativistic calculations within the one-center approximation for the series CH4 TO PbH4

✍ Scribed by A. Aguilar-Ancono; J.L. Gázquez; J. Keller


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
316 KB
Volume
96
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES


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This "relativistic contraction" is here found to be 0.64, where part of this work was done. 2.3 and 5.6 per cent for GeH,, SnH4 and P'oH4, respectively. This effect can be interpreted by the known fact that the s and p1j2 shells shrink [I, 161 due to re-References lativity. Orthogonality constraints

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Excitation energies are calculated for the states arising from excitation of an outer-most valence electron of HzS, PH3 and S& by the use of the one-center expansion SCF MO and the improved virtual orbital approximations. The results are compared with experimental data.