Ab initiopseudopotential–local-density description of the structural properties of small carbon clusters
- 15 April 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 37 (11) , 6504-6507
- https://doi.org/10.1103/physrevb.37.6504
Abstract
We have examined the structural and electronic properties of small carbon clusters (, n≤4) by using ab initio pseudopotentials, constructed within the local-density approximation, and a basis of Gaussian orbitals. We find this approach gives bond-bending and -stretching potentials comparable in accuracy to those obtained from ab initio quantum-chemistry methods.
Keywords
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