Bowler, DR;
(2018)
Building bridges: matching density functional theory with experiment.
Contemporary Physics
, 59
(4)
pp. 377-390.
10.1080/00107514.2019.1578079.
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Abstract
We will discuss the key concepts in density functional theory (DFT), how it can be used to model experimental data, and consider how the synergy between DFT and experiment can give significant insights. The discussion will centre on the scanning tunnelling microscope (STM) and surface problems, tracking the author’s personal interest, though the general principles are widely applicable.
| Type: | Article |
|---|---|
| Title: | Building bridges: matching density functional theory with experiment |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1080/00107514.2019.1578079 |
| Publisher version: | https://doi.org/10.1080/00107514.2019.1578079 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Density functional theory |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10071246 |
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