Personal details |
Name |
Professor Fred
Manby |
Job title |
Professor of Theoretical Chemistry
|
Department |
School of Chemistry University of Bristol
|
Contact details |
This expert can be contacted via the University of Bristol Public Relations
Office.
To help us deal with your request, please mention the Directory of Experts
when contacting the Public Relations Office.
work+44 (0)117 331 8092
email: public-relations@bristol.ac.uk
|
Qualifications |
B.Sc., D.Phil.(York) |
Professional details |
Keywords |
electronic structure theory
quantum chemistry
Ornstein-Zernike equation
electronic structure theory
electron correlation problem in solids
liquids
electron correlation
|
Areas of expertise |
Research in the Manby group is focused on the development of new methods in electronic structure theory and quantum chemistry. We also work on the application of new methods to problems of chemical interest. Our main projects are listed below:
• The Ornstein-Zernike equation in electronic structure theory • The electron correlation problem in solids • Accurate methods for liquids • Electron correlation for large systems • Explicitly correlated methods • Other fields
Electronic structure method development is performed mostly in the Molpro quantum chemistry package, of which I am a contributing author.
|