In 2009 a workshop focusing on the application of DFT methods to Experimental Spectroscopy was held in Oxford. Below are the lecture slides and tutorials. full timeable (pdf)
Introduction to DFT
- The Power of density-functional theory Prof. Chris Pickard (UCL) pdf
- Electronic Structure, plane-waves and pseudopotentials Dr Phil Hasnip (York) pdf
- The reciprocal space description of electron and phonon states: DOS and dispersion Dr Phil Hasnip (York) pdf
- Geometry optimization and Dynamics Dr Jonathan Yates (Oxford) pdf
- Introduction to the CASTEP code Dr Stewart Clark (Durham) pdf
- Beyond DFT: exact exchange and other post-DFT methods Dr Stewart Clark (Durham) pdf
- Future directions in electronic structure methods Dr Peter Haynes (Imperial College) pdf
Vibrational Spectroscopy
- The Power of Vibrational Spectroscopy Dr Timmy Ramirez-Cuesta (ISIS)
- Vibrational spectroscopy methods Dr Keith Refson (STFC) pdf
- Applications in vibrational spectroscopy Dr Timmy Ramirez-Cuesta (ISIS)
- Advanced Vibrational Spectroscopy Dr Keith Refson (STFC) pdf
- Introductory Tutorial
- Intructions(pdf)
- Files
Nuclear Magnetic Resonance
- The power of solid-state NMR Dr Sharon Ashbrook (St Andrews) pdf
- NMR methods Dr Jonathan Yates (Oxford) pdf
- Applications of NMR Dr Sharon Ashbrook (St Andrews) pdf
- Introductory Tutorial
- Intructions(pdf)
- Files
Core-loss Spectrscopy
- The Power of Core-level Spectroscopy Dr Rebecca Nicholls (Oxford) pdf
- Core-level spectroscopy methods Prof. Chris Pickard (UCL) pdf
- Applications of core-level spectroscopy Dr Rebecca Nicholls (Oxford) pdf
The workshop was supported financially by
- CCP9
- The Sciences and Facilities Council (STFC) via the Centre for Molecular Structure and Dynamics
- The UK Car-Parrinello Consortium
Additional support was provided by
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![[CMSD]](../workshop_images/CMSD_logo.gif){kind=logo}
![[Oxford Materials]](../workshop_images/logo.gif){kind=logo}
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