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Exchange–correlation energy in the orbital occupancy method: electronic structure of organic molecules

✍ Scribed by Oszwaldowski, R; Vázquez, H; Pou, P; Ortega, J; Pérez, R; Flores, F

Book ID
121795081
Publisher
Institute of Physics
Year
2003
Tongue
English
Weight
277 KB
Volume
15
Category
Article
ISSN
0953-8984

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The FredhoLm method using a twocentei, L2 basis is presented for electron-hydrogen moiqle scattering ixMing exchange, but neglecting polarization. At low energies, phase shifts computed by .~~yti~~ continuing tbc FredhoIm deterrninant agree well with J = 0 c!ose\*oupl.ing xesults. ,. '. '. .(. ',.