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001     601075
005     20250715170835.0
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100 1 _ |a Tikhonov, Denis
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245 _ _ |a Inverse problems in pump-probe spectroscopy
260 _ _ |a Basel, Switzerland
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520 _ _ |a Ultrafast pump-probe spectroscopic studies allow for deep insights into the mechanisms and timescales of photophysical and photochemical processes. Extracting valuable information from these studies, such as reactive intermediates’ lifetimes and coherent oscillation frequencies, is an example of the inverse problems of chemical kinetics. This article describes a consistent approach for solving this inverse problem that avoids the common obstacles of simple least-squares fitting that can lead to unreliable results. The presented approach is based on the regularized Markov Chain Monte Carlo sampling for the strongly nonlinear parameters, allowing for a straightforward solution of the ill-posed nonlinear inverse problem. The software to implement the described fitting routine is introduced and the numerical examples of its application are given. We will also touch on criticalexperimental parameters, such as the temporal overlap of pulses and cross-correlation time and their connection to the minimal reachable time resolution.
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700 1 _ |a Garg, Diksha
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700 1 _ |a Schnell, Melanie
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999 C 5 |a 10.1002/1521-3773(20000804)39:15<2586::AID-ANIE2586>3.0.CO;2-O
|9 -- missing cx lookup --
|1 Zewail
|p 2586 -
|2 Crossref
|t Angew. Chem. Int. Ed.
|v 39
|y 2000
999 C 5 |a 10.1088/1361-6455/aa9735
|9 -- missing cx lookup --
|1 Young
|p 032003 -
|2 Crossref
|t J. Phys. At. Mol. Opt. Phys.
|v 51
|y 2018
999 C 5 |1 Zettergren
|y 2021
|2 Crossref
|o Zettergren 2021
999 C 5 |a 10.1088/0034-4885/69/6/R06
|9 -- missing cx lookup --
|1 Hertel
|p 1897 -
|2 Crossref
|t Rep. Prog. Phys.
|v 69
|y 2006
999 C 5 |a 10.1038/s41467-021-25045-0
|9 -- missing cx lookup --
|1 Scutelnic
|p 5003 -
|2 Crossref
|t Nat. Commun.
|v 12
|y 2021
999 C 5 |a 10.1038/s41467-021-26193-z
|9 -- missing cx lookup --
|1 Lee
|p 6107 -
|2 Crossref
|t Nat. Commun.
|v 12
|y 2021
999 C 5 |a 10.3389/fphy.2022.880793
|9 -- missing cx lookup --
|1 Garg
|p 880793 -
|2 Crossref
|t Front. Phys.
|v 10
|y 2022
999 C 5 |a 10.1126/science.1254061
|9 -- missing cx lookup --
|1 Calegari
|p 336 -
|2 Crossref
|t Science
|v 346
|y 2014
999 C 5 |a 10.1039/D0FD00112K
|9 -- missing cx lookup --
|1 Wolf
|p 555 -
|2 Crossref
|t Faraday Discuss.
|v 228
|y 2021
999 C 5 |a 10.1038/s41467-022-33901-w
|9 -- missing cx lookup --
|1 Onvlee
|p 7462 -
|2 Crossref
|t Nat. Commun.
|v 13
|y 2022
999 C 5 |a 10.1002/anie.202102901
|9 -- missing cx lookup --
|1 Brixner
|p 18867 -
|2 Crossref
|t Angew. Chem. Int. Ed.
|v 60
|y 2021
999 C 5 |2 Crossref
|u Press, W.H., Teukolsky, S.A., Vetterling, W.T., and Flannery, B.P. (2007). Numerical Recipes 3rd Edition: The Art of Scientific Computing, Cambridge University Press. [3rd ed.].
999 C 5 |a 10.1029/94JB03097
|9 -- missing cx lookup --
|1 Mosegaard
|p 12431 -
|2 Crossref
|t J. Geophys. Res. Solid Earth
|v 100
|y 1995
999 C 5 |a 10.1146/annurev-statistics-031017-100108
|9 -- missing cx lookup --
|2 Crossref
|u Bingham, D., Butler, T., and Estep, D. (2024). Inverse Problems for Physics-Based Process Models. Annu. Rev. Stat. Its Appl., 11.
999 C 5 |1 Tikhonov
|y 1963
|2 Crossref
|o Tikhonov 1963
999 C 5 |a 10.1007/978-94-017-5167-4
|9 -- missing cx lookup --
|2 Crossref
|u Tikhonov, A., Leonov, A., and Yagola, A. (1998). Nonlinear Ill-Posed Problems, Chapman & Hall.
999 C 5 |a 10.1080/00401706.1970.10488634
|9 -- missing cx lookup --
|1 Hoerl
|p 55 -
|2 Crossref
|t Technometrics
|v 12
|y 1970
999 C 5 |a 10.1080/00268979609482552
|9 -- missing cx lookup --
|1 Pedersen
|p 1455 -
|2 Crossref
|t Mol. Phys.
|v 89
|y 1996
999 C 5 |1 Hadamard
|y 1902
|2 Crossref
|o Hadamard 1902
999 C 5 |a 10.1016/j.molstruc.2016.05.090
|9 -- missing cx lookup --
|1 Tikhonov
|p 20 -
|2 Crossref
|t J. Mol. Struct.
|v 1132
|y 2017
999 C 5 |a 10.6028/jres.049.044
|9 -- missing cx lookup --
|1 Hestenes
|p 409 -
|2 Crossref
|t J. Res. Natl. Bur. Stand.
|v 49
|y 1952
999 C 5 |a 10.1093/comjnl/7.2.155
|9 -- missing cx lookup --
|1 Powell
|p 155 -
|2 Crossref
|t Comput. J.
|v 7
|y 1964
999 C 5 |a 10.1111/j.2517-6161.1996.tb02080.x
|9 -- missing cx lookup --
|1 Tibshirani
|p 267 -
|2 Crossref
|t J. R. Stat. Soc. Ser. (Methodol.)
|v 58
|y 1996
999 C 5 |a 10.1137/0907087
|9 -- missing cx lookup --
|1 Santosa
|p 1307 -
|2 Crossref
|t SIAM J. Sci. Stat. Comput.
|v 7
|y 1986
999 C 5 |a 10.1016/j.matcom.2011.01.016
|9 -- missing cx lookup --
|1 Bauer
|p 1795 -
|2 Crossref
|t Math. Comput. Simul.
|v 81
|y 2011
999 C 5 |a 10.1016/0022-2860(79)80066-6
|9 -- missing cx lookup --
|1 Chiu
|p 185 -
|2 Crossref
|t J. Mol. Struct.
|v 54
|y 1979
999 C 5 |a 10.1002/chem.201805145
|9 -- missing cx lookup --
|1 Holub
|p 2313 -
|2 Crossref
|t Chem.—Eur. J.
|v 25
|y 2019
999 C 5 |a 10.1021/acs.inorgchem.5b02102
|9 -- missing cx lookup --
|1 Vishnevskiy
|p 11868 -
|2 Crossref
|t Inorg. Chem.
|v 54
|y 2015
999 C 5 |a 10.1063/1.1699114
|9 -- missing cx lookup --
|1 Metropolis
|p 1087 -
|2 Crossref
|t J. Chem. Phys.
|v 21
|y 2004
999 C 5 |a 10.1093/biomet/57.1.97
|9 -- missing cx lookup --
|1 Hastings
|p 97 -
|2 Crossref
|t Biometrika
|v 57
|y 1970
999 C 5 |a 10.1063/1.1632112
|9 -- missing cx lookup --
|1 Rosenbluth
|p 22 -
|2 Crossref
|t AIP Conf. Proc.
|v 690
|y 2003
999 C 5 |a 10.18637/jss.v049.i03
|9 -- missing cx lookup --
|1 Snellenburg
|p 1 -
|2 Crossref
|t J. Stat. Softw.
|v 49
|y 2012
999 C 5 |a 10.1021/acs.jpca.2c00907
|9 -- missing cx lookup --
|1 Pascher
|p 4087 -
|2 Crossref
|t J. Phys. Chem.
|v 126
|y 2022
999 C 5 |a 10.1109/JQE.1965.1072212
|9 -- missing cx lookup --
|1 Arecchi
|p 169 -
|2 Crossref
|t IEEE J. Quantum Electron.
|v 1
|y 1965
999 C 5 |a 10.1021/acs.jpca.3c06983
|9 -- missing cx lookup --
|1 Lindh
|p 10210 -
|2 Crossref
|t J. Phys. Chem.
|v 127
|y 2023
999 C 5 |a 10.1002/chem.202201931
|9 -- missing cx lookup --
|1 Mengele
|p e202201931 -
|2 Crossref
|t Chem.—Eur. J.
|v 28
|y 2022
999 C 5 |a 10.1063/1.3026734
|9 -- missing cx lookup --
|1 Shchatsinin
|p 204308 -
|2 Crossref
|t J. Chem. Phys.
|v 129
|y 2008
999 C 5 |a 10.1016/j.bbabio.2004.04.011
|9 -- missing cx lookup --
|1 Larsen
|p 82 -
|2 Crossref
|t Biochim. Biophys. Acta (BBA)-Bioenerg.
|v 1657
|y 2004
999 C 5 |2 Crossref
|u Connors, K. (1990). Chemical Kinetics: The Study of Reaction Rates in Solution, VCH Publishers, Inc.
999 C 5 |2 Crossref
|u Atkins, P., and Paula, J. (2008). Atkins’ Physical Chemistry, Oxford University Press.
999 C 5 |a 10.1364/OPTICA.454920
|9 -- missing cx lookup --
|1 Rivas
|p 429 -
|2 Crossref
|t Optica
|v 9
|y 2022
999 C 5 |a 10.1038/s41467-019-10989-1
|9 -- missing cx lookup --
|1 Debnath
|p 2944 -
|2 Crossref
|t Nat. Commun.
|v 10
|y 2019
999 C 5 |a 10.1093/hesc/9780199541423.001.0001
|9 -- missing cx lookup --
|2 Crossref
|u Atkins, P., and Friedman, R. (2011). Molecular Quantum Mechanics, OUP Oxford.
999 C 5 |a 10.1063/1.5115323
|9 -- missing cx lookup --
|1 Manzano
|p 025106 -
|2 Crossref
|t AIP Adv.
|v 10
|y 2020
999 C 5 |a 10.1126/sciadv.ade0311
|9 -- missing cx lookup --
|1 Tikhonov
|p eade0311 -
|2 Crossref
|t Sci. Adv.
|v 8
|y 2022
999 C 5 |a 10.1038/s41467-023-36653-3
|9 -- missing cx lookup --
|1 Sun
|p 934 -
|2 Crossref
|t Nat. Commun.
|v 14
|y 2023
999 C 5 |a 10.1080/00268976.2019.1593535
|9 -- missing cx lookup --
|1 Hatano
|p 2121 -
|2 Crossref
|t Mol. Phys.
|v 117
|y 2019
999 C 5 |a 10.1038/ncomms6938
|9 -- missing cx lookup --
|1 Schulz
|p 5938 -
|2 Crossref
|t Nat. Commun.
|v 6
|y 2015
999 C 5 |a 10.1088/1367-2630/aa652d
|9 -- missing cx lookup --
|1 Savelyev
|p 043009 -
|2 Crossref
|t New J. Phys.
|v 19
|y 2017
999 C 5 |a 10.1364/CLEO_SI.2019.STu4E.4
|9 -- missing cx lookup --
|2 Crossref
|u Schirmel, N., Alisauskas, S., Huülsenbusch, T., Manschwetus, B., Mohr, C., Winkelmann, L., Große-Wortmann, U., Zheng, J., Lang, T., and Hartl, I. (2019, January 5–10). Long-Term Stabilization of Temporal and Spectral Drifts of a Burst-Mode OPCPA System. Proceedings of the Conference on Lasers and Electro-Optics, San Jose, CA, USA.
999 C 5 |a 10.1016/S0065-2199(08)60043-3
|9 -- missing cx lookup --
|1 Lambropoulos
|p 87 -
|2 Crossref
|t Adv. At. Mol. Phys.
|v 12
|y 1976
999 C 5 |a 10.1088/1361-6455/acb188
|9 -- missing cx lookup --
|1 Kheifets
|p 022001 -
|2 Crossref
|t J. Phys. At. Mol. Opt. Phys.
|v 56
|y 2023
999 C 5 |a 10.1038/s41592-019-0686-2
|9 -- missing cx lookup --
|1 Virtanen
|p 261 -
|2 Crossref
|t Nat. Methods
|v 17
|y 2020
999 C 5 |2 Crossref
|u Chopra, P. (2022). Astrochemically Relevant Polycyclic Aromatic Hydrocarbons Investigated Using Ultrafast Pump-Probe Spectroscopy and Near-Edge X-ray Absorption Fine Structure Spectroscopy. [Ph.D. Thesis, Christian-Albrechts-Universität zu Kiel].
999 C 5 |2 Crossref
|u Garg, D. (2023). Electronic Structure and Ultrafast Fragmentation Dynamics of Polycyclic Aromatic Hydrocarbons. [Ph.D. Thesis, Universität Hamburg].
999 C 5 |a 10.1103/PhysRevA.95.013407
|9 -- missing cx lookup --
|1 Douguet
|p 013407 -
|2 Crossref
|t Phys. Rev. A
|v 95
|y 2017
999 C 5 |a 10.1016/j.nima.2009.12.053
|9 -- missing cx lookup --
|1 Epp
|p 483 -
|2 Crossref
|t Nucl. Instruments Methods Phys. Res. Sect. Accel. Spectrom. Detect. Assoc. Equip.
|v 614
|y 2010
999 C 5 |a 10.1107/S1600577518008585
|9 -- missing cx lookup --
|1 Erk
|p 1529 -
|2 Crossref
|t J. Synchrotron. Radiat.
|v 25
|y 2018
999 C 5 |a 10.1007/978-3-319-04507-8
|9 -- missing cx lookup --
|2 Crossref
|u Jaeschke, E., Khan, S., Schneider, J.R., and Hastings, J.B. (2014). Synchrotron Light Sources and Free-Electron Lasers: Accelerator Physics, Instrumentation and Science Applications, Springer International Publishing.
999 C 5 |a 10.1140/epjp/s13360-023-03814-8
|9 -- missing cx lookup --
|1 Beye
|p 193 -
|2 Crossref
|t Eur. Phys. J. Plus
|v 138
|y 2023
999 C 5 |a 10.1364/JOSA.55.000654
|9 -- missing cx lookup --
|1 Garcia
|p 654 -
|2 Crossref
|t J. Opt. Soc. Am.
|v 55
|y 1965
999 C 5 |a 10.1103/PhysRevA.36.3575
|9 -- missing cx lookup --
|1 Martin
|p 3575 -
|2 Crossref
|t Phys. Rev. A
|v 36
|y 1987
999 C 5 |2 Crossref
|u Williams, T., and Kelley, C. (2020, January 20). Gnuplot 5.4: An Interactive Plotting Program. Available online: http://www.gnuplot.info.
999 C 5 |a 10.1090/qam/10666
|9 -- missing cx lookup --
|1 LEVENBERG
|p 164 -
|2 Crossref
|t Q. Appl. Math.
|v 2
|y 1944
999 C 5 |a 10.1137/0111030
|9 -- missing cx lookup --
|1 Marquardt
|p 431 -
|2 Crossref
|t J. Soc. Ind. Appl. Math.
|v 11
|y 1963
999 C 5 |a 10.1109/TAC.1974.1100705
|9 -- missing cx lookup --
|1 Akaike
|p 716 -
|2 Crossref
|t IEEE Trans. Autom. Control
|v 19
|y 1974
999 C 5 |a 10.1007/BF00651344
|9 -- missing cx lookup --
|p 387 -
|2 Crossref
|t Astrophys. Space Sci.
|v 4
|y 1969
999 C 5 |a 10.1063/5.0168417
|9 -- missing cx lookup --
|1 Tikhonov
|p 174101 -
|2 Crossref
|t J. Chem. Phys.
|v 159
|y 2023
999 C 5 |a 10.1007/978-3-662-22574-5
|9 -- missing cx lookup --
|2 Crossref
|u Shapiro, S.L. (1977). Ultrashort Light Pulses: Picosecond Techniques and Applications, Springer.
999 C 5 |a 10.1016/0030-4018(81)90231-5
|9 -- missing cx lookup --
|1 Vardeny
|p 396 -
|2 Crossref
|t Opt. Commun.
|v 39
|y 1981
999 C 5 |a 10.1134/1.1884668
|9 -- missing cx lookup --
|1 Lebedev
|p 272 -
|2 Crossref
|t J. Exp. Theor. Phys.
|v 100
|y 2005
999 C 5 |a 10.1002/lpor.201200102
|9 -- missing cx lookup --
|1 Rhodes
|p 557 -
|2 Crossref
|t Laser Photonics Rev.
|v 7
|y 2013
999 C 5 |2 Crossref
|u (2024, January 18). SciPy: Open Source Scientific Tools for Python. Available online: http://www.scipy.org/.
999 C 5 |a 10.1007/s43630-023-00460-y
|9 -- missing cx lookup --
|1 Weigand
|p 2413 -
|2 Crossref
|t Photochem. Photobiol. Sci.
|v 22
|y 2023
999 C 5 |a 10.1016/S0006-3495(03)74804-8
|9 -- missing cx lookup --
|1 Niklas
|p 3899 -
|2 Crossref
|t Biophys. J.
|v 85
|y 2003
999 C 5 |a 10.1016/S0006-3495(01)76069-9
|9 -- missing cx lookup --
|1 Croce
|p 901 -
|2 Crossref
|t Biophys. J.
|v 80
|y 2001
999 C 5 |a 10.1529/biophysj.105.059824
|9 -- missing cx lookup --
|1 Holzwarth
|p 552 -
|2 Crossref
|t Biophys. J.
|v 90
|y 2006
999 C 5 |a 10.1063/1.881293
|9 -- missing cx lookup --
|1 Zurek
|p 36 -
|2 Crossref
|t Phys. Today
|v 44
|y 1991
999 C 5 |1 Zurek
|y 2002
|2 Crossref
|o Zurek 2002

LibraryCollectionCLSMajorCLSMinorLanguageAuthor
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