Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1782074
Reference46 articles.
1. Car–Parrinello molecular dynamics simulation of liquid water: New results
2. Free energy of liquid water on the basis of quasichemical theory andab initiomolecular dynamics
3. Towards an assessment of the accuracy of density functional theory for first principles simulations of water
4. Generalized Gradient Approximation Made Simple
5. Density-functional exchange-energy approximation with correct asymptotic behavior
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