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Book Chapter

The Bare-Nuclear Potential as Harbinger for the Electron Density in a Molecule

  • Parr R
  • Berk A
Springer US, (1981), 51-62
DOI: 10.1007/978-1-4757-9634-6_4
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Abstract

A correlation between electron d. contours in mols. and bare-nuclear potential is explored. For H2+, the best possible electronic wavefunction and energy are found which conform precisely to the desired property for all internuclear distances. For a series of diat. and polyat. mols., contours of the bare-nuclear potentials are generated and qual. compared with the contours of electron d.

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APA

Parr, R. G., & Berk, A. (1981). The Bare-Nuclear Potential as Harbinger for the Electron Density in a Molecule. In Chemical Applications of Atomic and Molecular Electrostatic Potentials (pp. 51–62). Springer US. https://doi.org/10.1007/978-1-4757-9634-6_4

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