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Adaptation of one-electron basis sets to spatial confinements

✍ Scribed by J. Planelles; J. Karwowski; W. Jaskólski

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
157 KB
Volume
73
Category
Article
ISSN
0020-7608

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✦ Synopsis

A method that generates out of a given orbital basis set its analog appropriate for describing the effects of a spatial confinement is presented. The method is based on the requirement that the one-particle model spaces for the confined and for the unconfined systems are equivalent in the sense of a criterion derived from the basis-set-generating eigenvalue equations.

📜 SIMILAR VOLUMES

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