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Continuum contribution to second order long range forces

✍ Scribed by Z.J. Horák; J. Šišková

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
141 KB
Volume
6
Category
Article
ISSN
0009-2614

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✦ Synopsis

The second order energy of the H-H+ interaction is calculated in terms of its discrete and cantinuum parts. hnportance of the continuum increases for higher multipoles and lower interatomic distances.

The hydrogenic basis set including continuum roved to be a useful tool for calculation in the tomic Z-expansion theory carried to second OPer [l-3 3*_ In molecules similar technique can e employed via the one-center screened nucleus erturbation theory [4,5]. WttNn this scheme the ne-electron energies can essentially be dis-

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