Mats Simmermacher
Mats Simmermacher
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Electronic coherence in ultrafast X-ray scattering from molecular wave packets
M Simmermacher, NE Henriksen, KB Møller, AM Carrascosa, A Kirrander
Physical review letters 122 (7), 073003, 2019
Observation of the molecular response to light upon photoexcitation
H Yong, N Zotev, JM Ruddock, B Stankus, M Simmermacher, ...
Nature communications 11 (1), 2157, 2020
Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties
SA Bogh, M Simmermacher, M Westberg, M Bregnhøj, M Rosenberg, ...
Acs Omega 2 (1), 193-203, 2017
Theory of ultrafast x-ray scattering by molecules in the gas phase
M Simmermacher, A Moreno Carrascosa, N E Henriksen, K B Møller, ...
The Journal of chemical physics 151 (17), 2019
Excited electronic states in total isotropic scattering from molecules
N Zotev, A Moreno Carrascosa, M Simmermacher, A Kirrander
Journal of Chemical Theory and Computation 16 (4), 2594-2605, 2020
Time-resolved X-ray scattering by electronic wave packets: analytic solutions to the hydrogen atom
M Simmermacher, NE Henriksen, KB Møller
Physical Chemistry Chemical Physics 19 (30), 19740-19749, 2017
The second-order-polarization-propagator-approximation (SOPPA) in a four-component spinor basis
AK Schnack-Petersen, M Simmermacher, E Fasshauer, HJA Jensen, ...
The Journal of Chemical Physics 152 (13), 2020
Single-molecule detection of a fluorescent nucleobase analogue via multiphoton excitation
D Nobis, RS Fisher, M Simmermacher, PA Hopkins, Y Tor, AC Jones, ...
The journal of physical chemistry letters 10 (17), 5008-5012, 2019
How to excite nuclear wavepackets into electronically degenerate states in spin-vibronic quantum dynamics simulations
M Pápai, M Simmermacher, TJ Penfold, KB Møller, T Rozgonyi
Journal of Chemical Theory and Computation 14 (8), 3967-3974, 2018
CarbX: a program for the evaluation of wide-angle X-ray scattering data of non-graphitic carbons
T Pfaff, M Simmermacher, BM Smarsly
Journal of Applied Crystallography 51 (1), 219-229, 2018
Solution Manual to Molecular Electromagnetism. A Computational Chemistry Approach
SPA Sauer, R Faber, NH List, K Mackeprang, N Wahlberg, ...
Oxford University Press, Oxford, 2015
Time-resolved x-ray scattering from impulsively aligned or oriented molecules
M Simmermacher, A Kirrander, NE Henriksen
Physical Review A 102 (5), 052825, 2020
Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction
JP Coe, A Moreno Carrascosa, M Simmermacher, A Kirrander, ...
Journal of Chemical Theory and Computation 18 (11), 6690-6699, 2022
Towards high-resolution X-ray scattering as a probe of electron correlation
AM Carrascosa, JP Coe, M Simmermacher, MJ Paterson, A Kirrander
Physical Chemistry Chemical Physics 24 (39), 24542-24552, 2022
Time-resolved diffraction: general discussion
F Allum, K Amini, M Ashfold, D Bansal, RJF Berger, M Centurion, G Dixit, ...
Faraday Discussions 228, 161-190, 2021
Theory and Simulations of Time-Resolved X-Ray Scattering
M Simmermacher
Technical University of Denmark, 2018
The Second-Order-Polarization-Propagator-Approximation (SOPPA) in a
AK Schnack-Petersen, M Simmermacher, E Fasshauer, HJA Jensen, ...
The Journal of Chemical Physics, 0
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