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On the Density Functional Relationship between Static Dipole Polarizability and Global Softness

✍ Scribed by Simón-Manso, Y.; Fuentealba, P.


Book ID
127390115
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
58 KB
Volume
102
Category
Article
ISSN
1089-5639

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Density functional study of the relation
✍ Tapan K. Ghanty; Swapan K. Ghosh 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 298 KB 👁 1 views

We have studied the variation of hardness, polarizability, and electronic and nuclear repulsion energy components of molecules in different nonequilibrium situations obtained by bond distortion and also by placing external point charges on the symmetry axis of the molecules. The above quantities are