Exchange energy for two-active-electron diatomic systems within the surface integral method

DOI10.1007/s00200-004-0156-6zbMath1074.81070OpenAlexW2041203039MaRDI QIDQ1890048

Yanyan Li

Publication date: 17 December 2004

Published in: Applicable Algebra in Engineering, Communication and Computing (Search for Journal in Brave)

Full work available at URL: http://juser.fz-juelich.de/record/41804/files/ib-2004-02.pdf

zbMATH Keywords

Numerical integrationMolecular physicsAsymptotic seriesSpecial functions and sumsSymbolic integration

Mathematics Subject Classification ID

Symbolic computation and algebraic computation (68W30) Molecular physics (81V55) Numerical integration (65D30) Asymptotics and summation methods for ordinary differential equations in the complex domain (34M30)

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Efficient algorithm for two-center Coulomb and exchange integrals of electronic prolate spheroidal orbitals

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