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The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction

✍ Scribed by Cederbaum, Lorenz S.


Book ID
120445085
Publisher
American Institute of Physics
Year
2013
Tongue
English
Weight
444 KB
Volume
138
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES


The gradient of a molecular wavefunction
✍ P. Lazzeretti; R. Zanasi πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 302 KB

The elecnic shielding 01 a nucleus in a molecule can be expressed m Iemu of Ihe gradlent of the molecular warefunctlon. This gradienl can be cvalua1cd analylically via perturbalion theory. introducing the Hamikoman in the acceleraCon gauge. Consider a neutral molecule with n electrons and N nuclei,

The self-consistent determination of the
✍ Jack Simons πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 738 KB

In this paper, we discuss the validity of our earlier derivation of a theory of molecular electron aftinities and ionization potentials\_ We show how one can improve upon our original derivation, which was not entirely consistent. by iteratively calculating both the ion and neutral molecule wavefun