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The analysis of electron pair distribution functions in molecules (1978)

Cooper, Ian L. ; Pounder, Christopher N. M.

Springer

Theoretical chemistry accounts 47 (1978), S. 51-58

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ISSN: 1432-2234

Keywords: Electron pair distribution

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract Electron pair distribution functions are analyzed for a variety of SCF+CI wavefunctions, for a range of simple molecules. The statistical correlation between electrons of like spin introduced by the antisymmetry requirement on the many-electron wavefunction is contrasted with the manner in which unlike-spin electron correlation is introduced through the inclusion of configuration interaction.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00554696

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