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  • 1
    Electronic Resource
    Electronic Resource
    Numerical integration techniques for quantum chemistry (1975)
    Springer
    Theoretical chemistry accounts 37 (1975), S. 275-283 
    Details
    ISSN: 1432-2234
    Keywords: Korobov numerical integration ; Numerical integration, Korobov theory for ∼
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Korobov theory for multidimensional numerical integration is used to evaluate electronic integrals. This paper shows the important role played by periodization techniques. Singularity (r 12 −1 ) in the bielectronic six-dimensional integrals is removed through a twofold three-dimensional integration. Results are presented for atomic integrals involving Slater type atomic orbitals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01028397
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