𝔖 Bobbio Scriptorium
✦   LIBER   ✦

N-representability of the electron pair density

✍ Scribed by Ernest R. Davidson


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
353 KB
Volume
246
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


Scaling a one-electron density for M electrons to the correct normalization for N electrons is known to give an N-representable density. Here we show that a similar scaling for the electron pair distribution is generally not N-representable.

The two-body r( x,x,; X:x;)


πŸ“œ SIMILAR VOLUMES


N-representability of diagonal elements
✍ S. Kh. Samvelyan πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 238 KB πŸ‘ 2 views

The problem of pure-state N-representability of the two-particle spin- ## Ε½ . dependent density function x , x is considered for an N-electron system, and a 1 2 Ε½ . procedure for finding an N-representable x , x is advanced. The problem is 1 2 formulated in the framework of a family of N = N matr

Correlated electron density of N2
✍ GΓΌnther Lauer; Hermann Meyer; Karl-Wilhelm Schulte; Armin Schweig; Hans-Lothar H πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 308 KB

The electron density difference between the correlated density of N2 and the superimposed AHF atom densities is calculated using the PERTCI program system and various AHF GTO wavefunctions. The result is compared with the corresponding experimental density recently derived from electron diffraction

ChemInform Abstract: Critical Point Repr
✍ Laurence Leherte; Nathalie Meurice; Daniel P. Vercauteren πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons βš– 24 KB

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a β€œFull Text” option. The original article is trackable v

The electron-pair origin of antiaromatic
✍ Shmuel Zilberg; Yehuda Haas πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 359 KB

It is shown that the antiaromatic character of certain conjugated cyclic hydrocarbons is due to the presence of an even number of distinct electron pairs in the Ε½ . system such as, but not necessarily electrons . In these systems, the ground state is Ε½ . constructed from an out-of-phase combination

Influence of the Effective Electron–Posi
✍ W. Obermayr πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 115 KB πŸ‘ 2 views

In this work we apply the 2C-DFT (two-component density-functional theory) within the Kohn-Sham scheme and the local density approximation in the limit of small positron densities to the determination of the electron and positron states of one positron in the alkali metals lithium, sodium and potass