𝔖 Bobbio Scriptorium
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Views of a molecule by chemists and physicists

✍ Scribed by Hendrik J. Monkhorst


Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
125 KB
Volume
72
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

✦ Synopsis


The work of Lionel Goodman is an example of appropriate use of the Ε½ . potential energy surface PES concept. It combines the best of the alternative, and often conflicting, views of molecules held by chemists and physicists. Chemists start with rigid and static molecular structures and then allow only reluctantly for a quantum dynamical behavior of the nuclei. On the other hand, physicists hold a much more dynamic, albeit more slippery, view. When detailed spectroscopies demand a more quantitatively precise description and prediction of molecular behavior, I propose to use the molecular Ε½ . coupled-cluster MCC method. The method, formulated in 1987, offers a rather atomic picture of a molecule and enables a unified quantum-dynamical description of its electrons and nuclei.


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