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Remark on the analytical form of Isorbitals in atoms and molecules

✍ Scribed by John H. Weare; Robert G. Parr


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
128 KB
Volume
1
Category
Article
ISSN
0020-7608

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Analytical method for the representation
✍ J. FernΓ‘ndez Rico; R. LΓ³pez; G. RamΓ­rez; I. Ema; E. V. LudeΓ±a πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 157 KB

## Abstract We present analytic refinements and applications of the deformed atomic densities method [FernΓ‘ndez Rico, J.; LΓ³pez, R.; RamΓ­rez, G. J Chem Phys 1999, 110, 4213–4220]. In this method the molecular electron density is partitioned into atomic contributions, using a minimal deformation cri