It. is nntiiriil that tlic grciiter niiiiil)er of piilicrs offeretl to 11s slioriltl coiiic froiii rescnrcli Iril)oriitoriert, :ind bc writteii liy sciciitific workcrs. For tliis tlicrc lire scvcrnl TC~SOIIY. I11 tho coiirsc of it rcseiirdi, it c i ~i bc clearly seen w\.hcii n stiigc is rciiclictl n
Views of a molecule by chemists and physicists
β 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.
β¦ 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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