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Numerical integration in the presence of an interior singularity

✍ Scribed by Philip Rabinowitz


Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
759 KB
Volume
17
Category
Article
ISSN
0377-0427

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## Abstract Advantages and difficulties of numerical integration in relation to a transcorrelated solution of the molecular SchrΓΆdinger equation are discussed. Because singularities in the two‐electron integrals can be completely removed in a transcorrelated calculation, the major difficulty remain