X-ray absorption spectroscopy through damped coupled cluster response theory
Bibliographic record
Abstract
First of all, I would like to thank my many friends and colleagues at IFM for making this first half of the journey towards a Ph.D. fly by with (relative) ease.The fika sessions discussing something completely random, hours spent trying to figure out which restaurant offers the most appealing meal of the day and so on are always much appreciated.For that I would like to extend special thanks to Jonas Sjöqvist, whose supply of odd topics for discussion, candy and opinions about restaurants seems to have no limit.I would also like to thank Joanna Kauczor for her ability to lighten up the occationally dull corridor and for, along with Mathieu Linares, helping me find my role model.Having spent the last year and a half visiting more airports than the rest of my life taken all together, I would also like to thank the people who made these trips worthwhile: My colleagues in the beautiful German city of Heidelberg for making me feel welcome during my weeks there and showing me around, especially Dirk Rehn, and Andreas Dreuw for inviting me.The teachers and fellow participants of the summer school in Geneva 2013 and the school here in Linköping at the fall of 2012.The teachers and participants of the summerschool (note the spelling) in Sicily 2013, and then especially my comrades from IFM, Tobias Fahleson and Riccardo Volpi, who joined me in this trip so that we could delve deeply into the fundamentals of quantum chemistry.As well as the noble art of Italian hand gesturing.For the winter school in a surprisingly snowy Stockholm 2012, I would again like to thank the teachers and my fellow participants, in the latter group especially my collegues from home, Paulo V C Medeiros and Cecilia Goyenola, who made the chilly mornings waiting for the bus seem much warmer.As doing research, going for fika and attending courses are only three of the four fundamental components of the life of a Ph.D. student, I also take this opportunity to thank my students in the electromagnetism course, for making teaching both a challenge and a joy.v vi Outside of academia, I would like to thank my friends and family for supporting me and making life so much more enjoyable.I know that some of you are every so slightly confused as to what I actually do all days, but I hope that we will be able to sort this out one day.Last, but by no means least, I would like to thank my supervisor, Patrick Norman, for his great patience, knowledge and enthusiasm.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.002 | 0.002 |
| Open science | 0.002 | 0.002 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.008 | 0.003 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".