## Abstract A formalism is suggested of the soβcalled local symmetricized orbitals to be used for the construction of a symmetricized basis in molecular electronic structure calculations. The local symmetricized orbitals are defined as additive contributions to the symmetry orbitals of a molecule t
Fully local orbital-free calculation of electronic structure using pseudopotentials
β Scribed by Ramiro Pino; A.J. Markvoort; R.A. van Santen; P.A.J. Hilbers
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 420 KB
- Volume
- 339
- Category
- Article
- ISSN
- 0921-4526
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