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An ab initio relativistic calculation for (e113)2

✍ Scribed by C.P. Wood; N.C. Pyper

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
647 KB
Volume
84
Category
Article
ISSN
0009-2614

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✦ Synopsis

For a moiccule cant-g two heavy a.toms a method capable of pedommg full> 3b mitio fully relatwlsbc c&ulatmns bxed on the Duac equation 1s descriied and apphed to (El 13)~ The wavefunctlon 1s mainly composed of the covalent function constructed from the ground 78 configurations of the atoms although admixture of covalent functions built from 7p orbltak not mslgruficantJy lowers the energy Ioruc terms are ununportant.

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