𝔖 Bobbio Scriptorium
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The approximation of electron densities

✍ Scribed by C. M. Smith; G. G. Hall


Publisher
Springer
Year
1986
Tongue
English
Weight
377 KB
Volume
69
Category
Article
ISSN
1432-2234

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On the evaluation of molecular electron
✍ T. Ziegler; G.L. Gutsev πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 661 KB

The ability of approximate Density Functional Theory to calculate molecular electron affinities has been probed by a series of calculations on the hydrides CH,,, NH2, OH, and HC, as well as the multibonded species CN, BO, N1, OCN, and NO,. The simple Hartree-Fock Slater scheme lacks dynamic correlat