| EPSRC Reference: |
GR/M96704/01 |
| Title: |
ROPA: NEW DENSITY FUNCTIONALS |
| Principal Investigator: |
Handy, Professor N |
| Other Investigators: |
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| Department: |
Chemistry |
| Organisation: |
University of Cambridge |
| Scheme: |
ROPA |
| Starts: |
11 January 2000 |
Ends: |
10 January 2002 |
Value (£): |
80,302
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| EPSRC Research Topic Classifications: |
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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New parameterised density functionals will be constructed through a least-squares iterative Kohn-Sham fitting procedure to a lar quantity of energetic and molecular property data. The form of the functional is important. The functionals will Le used in a variety of molecular studies.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.cam.ac.uk |