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Assessment of adiabatic local-density approximation for nonlinear optical properties

✍ Scribed by A. Banerjee; M.K. Harbola


Publisher
Springer
Year
1999
Tongue
English
Weight
281 KB
Volume
5
Category
Article
ISSN
1434-6060

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Electronic properties of the eletride-ty
✍ R. Rencsok; K.A. Jackson; T.A. Kaplan; J.F. Harrison; M.R. Pederson πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 411 KB

We consider the title molecule and its positive ion and calculate the HOMO charge density for the neutral molecule and the potentials for the positive ion, using the Hartree-Fock (I-IF) and local density approximation (LDA). Both approximations suggest that the ground state of the neutral is Rydberg