Revealing Noncovalent Interactions
Molecular structure does not easily identify the intricate noncovalent interactions that govern many areas of biology and chemistry, including design of new materials and drugs....
Publications
4 shownDevelopment of the Colle-Salvetti correlation-energy formula into a functional of the electron density
A correlation-energy formula due to Colle and Salvetti [Theor. Chim. Acta 37, 329 (1975)], in which the correlation energy density is expressed in terms of the electron density ...
Insights into Current Limitations of Density Functional Theory
Density functional theory of electronic structure is widely and successfully applied in simulations throughout engineering and sciences. However, for many predicted properties, ...
Comment on “Generalized Gradient Approximation Made Simple”
A Comment on the Letter by John P. Perdew, Kieron Burke, and Matthias Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). The authors of the Letter offer a Reply.Received 2 June 1997DO...
Frequent Co-Authors
Researcher Info
- h-index
- 4
- Publications
- 4
- Citations
- 111,471
- Institution
- University of Cambridge
External Links
Identifiers
- ORCID
- 0000-0001-5576-2828
Impact Metrics
h-index
4
h-index: Number of publications with at least h citations each.