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Calculation of a lower bound ratchet limit part 1 – Theory, numerical implementation and verification

✍ Scribed by Haofeng Chen; James Ure; David Tipping

Book ID
118436502
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
543 KB
Volume
37
Category
Article
ISSN
0997-7538

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The general theory of three-electron Hylleraas-Configuration-Interaction method using linear correlation factors of the form r, has been implemented for molecular systems using Cartesian Gaussians as basis sets. A brief review of the theory and the form of the three-electron integrals is presented.