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,
β¦ LIBER β¦
The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction
β 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
No coin nor oath required. For personal study only.
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