Structures of the water hexamer using density functional methods
- 1 September 1994
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 101 (5) , 4472-4473
- https://doi.org/10.1063/1.467434
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- What is the global minimum energy structure of the water hexamer? The importance of nonadditive interactionsThe Journal of Chemical Physics, 1994
- Theoretical study of the (H2O)6 clusterChemical Physics Letters, 1993
- Structures of small water clusters using gradient-corrected density functional theoryChemical Physics Letters, 1993
- Model studies of six-membered water clustersChemical Physics Letters, 1992
- Density-functional thermochemistry. I. The effect of the exchange-only gradient correctionThe Journal of Chemical Physics, 1992
- Ab initio studies of the water hexamer: near degenerate structuresChemical Physics Letters, 1991
- Density-functional exchange-energy approximation with correct asymptotic behaviorPhysical Review A, 1988
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityPhysical Review B, 1988
- Density-functional approximation for the correlation energy of the inhomogeneous electron gasPhysical Review B, 1986
- Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysisCanadian Journal of Physics, 1980