The fundamental problem, from a basic computational point of view, is that large molecules require large numbers of basis functions, whether Slater type orbitals or Gaussian functions suitably contracted, to provide even a modestly accurate description of the molecular electronic environment.
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Produktdetaljer
ISBN
9781468425581
Publisert
2012-04-26
Utgiver
Springer-Verlag New York Inc.
Høyde
244 mm
Bredde
170 mm
Aldersnivå
Research, P, 06
Språk
Product language
Engelsk
Format
Product format
Heftet
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