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On the Beebe-Linderberg two-electron integral approximation

✍ Scribed by I. Røeggen; E. Wisløff-Nilssen

Book ID
103024378
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
596 KB
Volume
132
Category
Article
ISSN
0009-2614

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✦ Synopsis

The Beebe-Llnderberg two-electron integral approximation, which is generated by a Cholesky decomposition of the twoelectron integral matrix ([WV Iho]), is slightly modified. On the basis of test calculations, two key questions concerning this approximation are discussed: The numerical rank of the twoelectron integral matrix and the relationship between the integral threshold and electronic properties. The numerical results presented in this work suggest that the modified Beebe-Linderberg approximation might be considered as an alternative to effective core potential methods.

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