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
N-representability of the electron pair density
β Scribed by Ernest R. Davidson
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 353 KB
- Volume
- 246
- Category
- Article
- ISSN
- 0009-2614
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β¦ 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;)
π SIMILAR VOLUMES
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
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