𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A Systematic Application of Density Functional Theory to Some Carbon-Containing Molecules and Their Anions

✍ Scribed by Brown, Shawn T.; Rienstra-Kiracofe, Jonathan C.; Schaefer, Henry F.


Book ID
118116085
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
153 KB
Volume
103
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Local-scaling transformation version of
✍ LudeοΏ½a, E. V.; Karasiev, V.; LοΏ½pez-Boada, R.; Valderrama, E.; Maldonado, J. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 382 KB πŸ‘ 2 views

Applications of the local-scaling transformation version of density functional theory, LS-DFT, to atoms and diatomic molecules are presented. In the case of atoms, explicit kinetic-and exchange-energy functionals for first-and second-row atoms at the Hartree᎐Fock level are constructed. The emphasis

Towards excitation energies and (hyper)p
✍ S. J. A. van Gisbergen; C. Fonseca Guerra; E. J. Baerends πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 241 KB πŸ‘ 2 views

We document recent improvements in the efficiency of our implementation in the Amsterdam Density Functional program (ADF) of the response equations in time-dependent density functional theory (TDDFT). Applications to quasi one-dimensional polyene chains and to three-dimensional water clusters show t

The quantic exposure law (density as fun
✍ Ludwik Silberstein πŸ“‚ Article πŸ“… 1951 πŸ› Elsevier Science 🌐 English βš– 999 KB

In the proper field of the art of photography and its practical applications, it is not the number and size of the individual grains made developable by an exposure which are required, but the macroscopic, summary effect of the presence of such grains, the opacity of the film or plate over which the