| EPSRC Reference: |
GR/J83307/01 |
| Title: |
INVESTIGATIONS OF DENSITY FUNCTIONAL THEORY |
| Principal Investigator: |
Knowles, Professor PJ |
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| Department: |
Chemistry |
| Organisation: |
University of Sussex |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 September 1994 |
Ends: |
31 August 1995 |
Value (£): |
63,413
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Summary on Grant Application Form |
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1. To determine the nature of the exchange correlation in density-functional theory.2. To develop an empirically parametrised density functional theory as an alternative to standard semi-empirical approaches to theoretical organic chemistry.3 To investigate outstanding theoretical problems in density-functional theory, and hence extend the accuracy and range of applicability of the ab initio density-functional description of molecular electronic structure.
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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.sussex.ac.uk |