@article{UBHD-68628304, author={Ansari, Narjes and Meyer, Hans-Dieter}, title={Isotope effects of ground and lowest lying vibrational states of H3-xDxO2- complexes}, year={2016}, pages={054308}, language={eng}, issn={1089-7690}, volume={144}, number={5}, note={Im Text ist das Zeichen "-" bei der Zahl "3" tiefgestellt ; Im Text ist das Zeichen "-" bei der Zahl "2" hochgestellt ; Im Text sind "3", "x" und "2" tiefgestellt ; Gesehen am 18.08.2020}, journal={The journal of chemical physics}, doi={10.1063/1.4940965}, } @article{UBHD-68898696, author={Bhattacharya, Sayak and Panda, Aditya N. and Meyer, Hans-Dieter}, title={Cross sections and rate constants for OH + H2 reaction on three different potential energy surfaces for ro-vibrationally excited reagents}, year={2011}, pages={1-7}, language={eng}, issn={1089-7690}, volume={135}, note={Im Titel ist die Zahl 2 tiefgestellt ; Gesehen am 23.03.2022}, journal={The journal of chemical physics}, doi={10.1063/1.3660222}, } @article{UBHD-68263262, author={Bhattacharya, Sayak and Meyer, Hans-Dieter}, title={Full dimensional quantum scattering study of the H2 + CN reaction#}, year={2012}, pages={65-73}, language={eng}, issn={0973-7103}, volume={124}, number={1}, note={First Online: 21 March 2012 ; Gesehen am 20.06.2018 ; Im Titel ist die 2 in H2 tiefgestellt und das # nach reaction hochgestellt}, journal={Journal of chemical sciences}, doi={10.1007/s12039-011-0197-x}, } @article{UBHD-69032537, author={Bhattacharya, Sayak and Panda, Aditya N. and Meyer, Hans-Dieter}, title={Multiconfiguration time-dependent Hartree approach to study the OH+H2 reaction}, year={2010}, pages={1-9}, language={eng}, issn={1089-7690}, volume={132}, note={Im Titel ist "2" tiefgestellt ; Gesehen am 01.02.2023}, journal={The journal of chemical physics}, doi={10.1063/1.3429609}, } @article{UBHD-68901210, author={Blancafort, Lluís and Gatti, Fabien and Meyer, Hans-Dieter}, title={Quantum dynamics study of fulvene double bond photoisomerization}, subtitle={the role of intramolecular vibrational energy redistribution and excitation energy}, year={2011}, pages={1-11}, language={eng}, issn={1089-7690}, volume={135}, note={Gesehen am 30.03.2022}, journal={The journal of chemical physics}, doi={10.1063/1.3643767}, } @article{UBHD-68647938, author={Bossion, Duncan and Ndengué, Steve and Meyer, Hans-Dieter and Gatti, Fabien and Scribano, Yohann}, title={Theoretical investigation of the H + HD → D + H2 chemical reaction for astrophysical applications}, subtitle={a state-to-state quasi-classical study}, year={2020}, pages={7 S.}, language={eng}, issn={1089-7690}, volume={153(2020}, note={Im Titel ist die Ziffer "2" tiefgestellt ; Gesehen am 13.10.2020}, journal={The journal of chemical physics}, doi={10.1063/5.0017697}, } @article{UBHD-68935358, author={Chiang, Ying-Chih and Otto, Frank and Meyer, Hans-Dieter and Cederbaum, Lorenz S.}, title={Interrelation between the distributions of kinetic energy release and emitted electron energy following the decay of electronic states}, year={2011}, pages={1-5}, language={eng}, issn={1079-7114}, volume={107}, note={Gesehen am 28.06.2022}, journal={Physical review letters}, doi={10.1103/PhysRevLett.107.173001}, } @article{UBHD-68283631, author={Chiang, Ying-Chih and Otto, Frank and Meyer, Hans-Dieter and Cederbaum, Lorenz S.}, title={Kinetic energy release in fragmentation processes following electron emission}, subtitle={a time-dependent approach}, year={2012}, pages={12 S.}, language={eng}, issn={1089-7690}, volume={136(2012}, note={Gesehen am 09.07.2018}, journal={The journal of chemical physics}, doi={10.1063/1.3694536}, } @article{UBHD-68913081, author={Ernst, Thomas and Hallwood, David W. and Gulliksen, Jake and Meyer, Hans-Dieter and Brand, Joachim}, title={Simulating strongly correlated multiparticle systems in a truncated Hilbert space}, year={2011}, pages={1-8}, language={eng}, issn={1094-1622}, volume={84}, note={Gesehen am 02.05.2022}, journal={Physical review}, doi={10.1103/PhysRevA.84.023623}, } @article{UBHD-69059146, author={Eroms, Matthis and Jungen, Martin and Meyer, Hans-Dieter}, title={Nonadiabatic nuclear dynamics after valence ionization of H2O}, year={2010}, pages={9893-9901}, language={eng}, issn={1520-5215}, volume={114}, number={36}, note={Im Titel ist "2" bei "H2O" tiefgestellt ; Gesehen am 03.04.2010}, journal={The journal of physical chemistry}, doi={10.1021/jp103659f}, } @article{UBHD-68331266, author={Eroms, Matthis and Jungen, Martin and Meyer, Hans-Dieter}, title={Vibronic coupling effects in resonant auger spectra of H2O}, year={2012}, pages={11140-11150}, language={eng}, issn={1520-5215}, volume={116}, number={46}, note={Im Titel ist in der chemischen Formel f{\"u}r Wasser (H2O) die "2" tief gestellt ; Gesehen am 22.11.2018}, journal={The journal of physical chemistry}, doi={10.1021/jp304666k}, } @article{UBHD-68584680, author={F{\"u}chsel, Gernot and Thomas, Phillip S. and Uyl, Jurriaan den and {\"O}zt{\"u}rk, Yesim and Nattino, Francesco and Meyer, Hans-Dieter and Kroes, Geert-Jan}, title={Rotational effects on the dissociation dynamics of CHD3 on Pt(111)}, year={2016}, pages={8174-8185}, language={eng}, issn={1463-9084}, volume={18}, number={11}, note={Im Titel ist die Ziffer "3" tiefgestellt ; Gesehen am 05.06.2020}, journal={Physical chemistry, chemical physics}, doi={10.1039/C5CP07898A}, } @article{UBHD-68985550, author={Han, Shanyu and Schr{\"o}der, Markus and Gatti, Fabien and Meyer, Hans-Dieter and Lauvergnat, David and Yarkony, David R. and Guo, Hua}, title={Representation of diabatic potential energy matrices for multiconfiguration time-dependent hartree treatments of high-dimensional nonadiabatic photodissociation dynamics}, year={2022}, pages={4627-4638}, language={eng}, issn={1549-9626}, volume={18}, number={8}, note={Gesehen am 15.11.2022}, journal={Journal of chemical theory and computation}, doi={10.1021/acs.jctc.2c00370}, } @article{UBHD-68296169, author={Jornet-Somoza, Joaquim and Meyer, Hans-Dieter}, title={A generalised 17-state vibronic-coupling Hamiltonian model for ethylene}, year={2012}, pages={17 S.}, language={eng}, issn={1089-7690}, volume={137(2017}, note={Gesehen am 16.08.2018 ; published online: 23 August 2012}, journal={The journal of chemical physics}, doi={10.1063/1.4745861}, } @article{UBHD-68647257, author={Joubert-Doriol, Loïc and Lasorne, Benjamin and Lauvergnat, David and Meyer, Hans-Dieter and Gatti, Fabien}, title={A generalised vibronic-coupling Hamiltonian model for benzopyran}, year={2014}, pages={15 S.}, language={eng}, issn={1089-7690}, volume={140(2014}, note={Gesehen am 12.10.2020}, journal={The journal of chemical physics}, doi={10.1063/1.4861226}, } @article{UBHD-68296157, author={Joubert-Doriol, Loïc and Schr{\"o}der, Markus and Vendrell, Oriol and Meyer, Hans-Dieter}, title={Suitable coordinates for quantum dynamics}, subtitle={applications using the multiconfiguration time-dependent Hartree (MCTDH) algorithm}, year={2012}, pages={75-89}, language={eng}, issn={2210-271X}, volume={990}, note={Gesehen am 16.08.2018}, journal={Computational and theoretical chemistry}, doi={10.1016/j.comptc.2011.12.015}, } @article{UBHD-68440176, author={K{\"o}hler, Fabian and Meyer, Hans-Dieter}, title={Dynamical pruning of the non-equilibrium quantum dynamics of trapped ultracold bosons}, year={2019}, pages={15 S.}, language={eng}, issn={1089-7690}, volume={151(2019}, note={Gesehen am 14.10.2019}, journal={The journal of chemical physics}, doi={10.1063/1.5104344}, } @article{UBHD-69050369, author={Lasorne, Benjamin and Robb, Michael A. and Meyer, Hans-Dieter and Gatti, F.}, title={The electronic excited states of ethylene with large-amplitude deformations}, subtitle={a dynamical symmetry group investigation}, year={2010}, pages={30-45}, language={eng}, volume={377}, number={1-3 vom: Aug.}, note={Gesehen am 10.03.2023}, journal={Chemical physics}, doi={10.1016/j.chemphys.2010.08.011}, } @article{UBHD-68643598, author={Lasorne, Benjamin and Jornet-Somoza, Joaquim and Meyer, Hans-Dieter and Lauvergnat, David and Robb, Michael A. and Gatti, Fabien}, title={Vertical transition energies vs. absorption maxima}, subtitle={illustration with the UV absorption spectrum of ethylene}, year={2014}, pages={52-58}, language={eng}, issn={1873-3557 and 1386-1425 and 0584-8539}, volume={119}, note={Online 9 May 2013 ; Gesehen am 06.10.2020}, journal={Spectrochimica acta}, doi={10.1016/j.saa.2013.04.078}, } @article{UBHD-68790970, author={Mainali, Samrit and Gatti, Fabien and Iouchtchenko, Dmitri and Roy, Pierre-Nicholas and Meyer, Hans-Dieter}, title={Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains}, year={2021}, pages={1-11}, language={eng}, issn={1089-7690}, volume={154}, note={Gesehen am 18.10.2021}, journal={The journal of chemical physics}, doi={10.1063/5.0047090}, } @article{UBHD-68749591, author={Malenda, Ruth and Gatti, F. and Meyer, Hans-Dieter and Talbi, D. and Hickman, A. P.}, title={Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scattering}, year={2013}, pages={184-188}, language={eng}, volume={585}, note={Gesehen am 16.06.2021}, journal={Chemical physics letters}, doi={10.1016/j.cplett.2013.08.083}, } @article{UBHD-68309223, author={Mendive-Tapia, David and Meyer, Hans-Dieter}, title={Multidimensional quantum mechanical modeling of electron transfer and electronic coherence in plant cryptochromes}, subtitle={the role of initial bath conditions}, year={2018}, pages={126-136}, language={eng}, issn={1520-5207}, volume={122}, number={1}, note={Publication: December 7, 2017 ; Gesehen am 26.09.2018}, journal={The journal of physical chemistry}, doi={10.1021/acs.jpcb.7b10412}, } @article{UBHD-68685056, author={Mendive-Tapia, David and Meyer, Hans-Dieter}, title={Regularizing the MCTDH equations of motion through an optimal choice on-the-fly (i.e., spawning) of unoccupied single-particle functions}, year={2020}, pages={16 S.}, language={eng}, issn={1089-7690}, volume={153(2020}, note={Gesehen am 28.01.2021}, journal={The journal of chemical physics}, doi={10.1063/5.0035581}, } @article{UBHD-68309222, author={Mendive-Tapia, David and Meyer, Hans-Dieter}, title={Towards a systematic convergence of Multi-Layer (ML) multi-configuration time-dependent hartree nuclear wavefunctions}, subtitle={the ML-spawning algorithm}, year={2017}, pages={113-123}, language={eng}, volume={482}, note={Gesehen am 26.09.2018}, journal={Chemical physics}, doi={10.1016/j.chemphys.2016.08.031}, } @article{UBHD-68586344, author={Meng, Qingyong and Meyer, Hans-Dieter}, title={Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface}, subtitle={vibrational states of the CO/Cu(100) system including surface vibrations}, year={2015}, language={eng}, issn={1089-7690}, volume={143(2015}, note={Gesehen am 12.06.2020}, journal={The journal of chemical physics}, doi={10.1063/1.4934506}, } @article{UBHD-68333441, author={Meng, Qingyong and Faraji, Shirin and Meyer, Hans-Dieter}, title={Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method}, year={2012}, pages={22 S.}, language={eng}, issn={1089-7690}, volume={137}, note={Gesehen am 28.11.2018}, journal={The journal of chemical physics}, doi={10.1063/1.4755372}, } @article{UBHD-68625673, author={Meng, Qingyong and Meyer, Hans-Dieter}, title={A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide}, year={2014}, pages={12 S.}, language={eng}, issn={1089-7690}, volume={141(2014}, note={Gesehen am 07.08.2020}, journal={The journal of chemical physics}, doi={10.1063/1.4896201}, } @article{UBHD-68884835, author={Meng, Qingyong and Schr{\"o}der, Markus and Meyer, Hans-Dieter}, title={High-dimensional quantum dynamics study on excitation-specific surface scattering including lattice effects of a five-atom surface cell}, year={2021}, pages={2702-2713}, language={eng}, issn={1549-9626}, volume={17}, number={5}, note={Gesehen am 03.03.2022}, journal={Journal of chemical theory and computation}, doi={10.1021/acs.jctc.1c00241}, } @article{UBHD-68309228, author={Meng, Qingyong and Meyer, Hans-Dieter}, title={Lattice effects of surface cell}, subtitle={multilayer multiconfiguration time-dependent Hartree study on surface scattering of CO/Cu(100)}, year={2017}, pages={9 S.}, language={eng}, issn={1089-7690}, volume={146}, note={Gesehen am 26.09.2018}, journal={The journal of chemical physics}, doi={10.1063/1.4982962}, } @article{UBHD-68739643, author={Meng, Qingyong and Meyer, Hans-Dieter}, title={MCTDH study on vibrational states of the CO/Cu(100) system}, year={2013}, pages={1-14}, language={eng}, issn={1089-7690}, volume={139}, note={Gesehen am 09.06.2021}, journal={The journal of chemical physics}, doi={10.1063/1.4826258}, } @article{UBHD-68739640, author={Meng, Qingyong and Meyer, Hans-Dieter}, title={A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations}, year={2013}, pages={$t12}, language={eng}, issn={1089-7690}, volume={138}, note={Gesehen am 19.05.2021}, journal={The journal of chemical physics}, doi={10.1063/1.4772779}, } @article{UBHD-68333437, author={Meyer, Hans-Dieter}, title={Studying molecular quantum dynamics with the multiconfiguration time-dependent Hartree method}, year={2012}, pages={351-374}, language={eng}, issn={1759-0884}, volume={2}, number={2}, note={Gesehen am 28.11.2018}, journal={Wiley interdisciplinary reviews}, doi={10.1002/wcms.87}, } @article{UBHD-69072950, author={Ndengué, Steve and Gatti, Fabien and Schinke, Reinhard and Meyer, Hans-Dieter and Jost, Rémy}, title={Absorption cross section of ozone isotopologues calculated with the Multiconfiguration Time-Dependent Hartree (MCTDH) method}, subtitle={I. The hartley and huggins bands}, year={2010}, pages={9855-9863}, language={eng}, issn={1520-5215}, volume={114}, number={36}, note={Gesehen am 08.05.2023}, journal={The journal of physical chemistry}, doi={10.1021/jp103266m}, } @article{UBHD-68245730, author={Ndengué, Steve and Meyer, Hans-Dieter}, title={Atom-triatom rigid rotor inelastic scattering with the MultiConfiguration Time Dependent Hartree approach}, year={2017}, pages={42-46}, language={eng}, volume={668}, note={Available online 9 December 2016 ; Gesehen am 23.04.2018}, journal={Chemical physics letters}, doi={10.1016/j.cplett.2016.12.012}, } @article{UBHD-68292498, author={Ndengué, Steve and Meyer, Hans-Dieter}, title={Comparison of the Huggins band for six ozone isotopologues}, subtitle={vibrational levels and absorption cross section}, year={2012}, pages={12260-12270}, language={eng}, issn={1520-5215}, volume={116}, number={50}, note={Gesehen am 06.08.2018}, journal={The journal of physical chemistry}, doi={10.1021/jp3064382}, } @article{UBHD-68292500, author={Ndengué, Steve and Meyer, Hans-Dieter}, title={Ozone photodissociation}, subtitle={isotopic and electronic branching ratios for symmetric and asymmetric isotopologues}, year={2012}, pages={12271-12279}, language={eng}, issn={1520-5215}, volume={116}, number={50}, note={Gesehen am 06.08.2018}, journal={The journal of physical chemistry}, doi={10.1021/jp307195v}, } @article{UBHD-68621792, author={Ndengué, Steve and Madronich, Sasha and Gatti, Fabien and Meyer, Hans-Dieter and Motapon, Ousmanou and Jost, Rémy}, title={Ozone photolysis}, subtitle={strong isotopologue/isotopomer selectivity in the stratosphere}, year={2014}, pages={4286-4302}, language={eng}, issn={2169-8996}, volume={119}, number={7}, note={Gesehen am 29.07.2020}, journal={Journal of geophysical research}, doi={10.1002/2013JD020033}, } @article{UBHD-68627834, author={Ndengué, Steve and Meyer, Hans-Dieter}, title={Resonances of HCO computed using an approach based on the multiconfiguration time-dependent hartree method}, year={2015}, pages={12043-12051}, language={eng}, issn={1520-5215}, volume={119}, number={50}, note={Gesehen am 17.08.2020}, journal={The journal of physical chemistry}, doi={10.1021/acs.jpca.5b04642}, } @article{UBHD-68249974, author={Ndong, Mamadou and Meyer, Hans-Dieter}, title={Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach}, year={2012}, pages={16 S.}, language={eng}, issn={1089-7690}, volume={136(2012}, note={Gesehen am 07.05.2018}, journal={The journal of chemical physics}, doi={10.1063/1.3675163}, } @article{UBHD-68747890, author={Ng, Nathan Kwok-kit and Wenderoth, Sebastian and Seelam, Rajagopala Reddy and Rabani, Eran and Meyer, Hans-Dieter and Thoss, Michael and Kolodrubetz, Michael}, title={Localization dynamics in a centrally coupled system}, year={2021}, pages={1-10}, language={eng}, issn={2469-9969}, volume={103}, note={Gesehen am 14.06.2021}, journal={Physical review}, doi={10.1103/PhysRevB.103.134201}, } @article{UBHD-68246174, author={Otto, Frank and Meyer, Hans-Dieter}, title={Rovibrational energy transfer in collisions of H2 with D2}, subtitle={a full-dimensional wave packet propagation study}, year={2012}, pages={619-632}, language={eng}, issn={1362-3028}, volume={110}, number={9-10}, note={Gesehen am 24.04.2018}, journal={Molecular physics}, doi={10.1080/00268976.2012.667165}, } @book{UBHD-68639314, author={Pahl, Elke and Meyer, Hans-Dieter and Cederbaum, Lorenz S.}, title={Time evolution of the excitation and decay of short lived molecular electronic states}, publisher={IWR}, address={Heidelberg}, year={1995}, pages={20 S.}, language={eng}, number={ARRAY(0x55c9b6c50250)}, series={Preprint / Interdisziplin{\"a}res Zentrum f{\"u}r Wissenschaftliches Rechnen, IWR}, } @article{UBHD-68643596, author={Peláez, Daniel and Sadri, Keyvan and Meyer, Hans-Dieter}, title={Full-dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H3O-2 complex}, year={2014}, pages={42-51}, language={eng}, issn={1873-3557 and 1386-1425 and 0584-8539}, volume={119}, note={Online 21 May 2013 ; Im Text ist "-" hochgestellt, "3" und "2" tiefgestellt ; Gesehen am 06.10.2020}, journal={Spectrochimica acta}, doi={10.1016/j.saa.2013.05.008}, } @article{UBHD-68862021, author={Peláez, Daniel and Meyer, Hans-Dieter}, title={The multigrid POTFIT (MGPF) method}, subtitle={grid representations of potentials for quantum dynamics of large systems}, year={2013}, pages={1-16}, language={eng}, issn={1089-7690}, volume={138}, note={Gesehen am 03.01.2022}, journal={The journal of chemical physics}, doi={10.1063/1.4773021}, } @article{UBHD-68283650, author={Peláez, Daniel and Meyer, Hans-Dieter}, title={On the infrared absorption spectrum of the hydrated hydroxide (H3O2-) cluster anion}, year={2017}, pages={100-105}, language={eng}, volume={482}, note={Available online 27 August 2016 ; Die Zahlen 3 und 2 sind im Text tief- und das Minus hochgestellt ; Gesehen am 07.02.2019}, journal={Chemical physics}, doi={10.1016/j.chemphys.2016.08.025}, } @article{UBHD-68259930, author={Sadri, Keyvan and Meyer, Hans-Dieter}, title={Numeric kinetic energy operators for molecules in polyspherical coordinates}, year={2012}, pages={10 S.}, language={eng}, issn={1089-7690}, volume={136 (2012}, note={Gesehen am 11.06.2018}, journal={The journal of chemical physics}, doi={10.1063/1.4729536}, } @article{UBHD-68625707, author={Sadri, Keyvan and Lauvergnat, David and Gatti, Fabien and Meyer, Hans-Dieter}, title={Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach}, year={2014}, pages={11 S.}, language={eng}, issn={1089-7690}, volume={141(2014}, note={Gesehen am 07.08.2020}, journal={The journal of chemical physics}, doi={10.1063/1.4895557}, } @article{UBHD-68262343, author={Sala, Matthieu and Meyer, Hans-Dieter}, title={Effect of the overall rotation on the cis-transisomerization of HONO induced by an external field}, year={2012}, pages={3791-3801}, language={eng}, issn={1463-9084}, volume={14}, number={11}, note={First published on 13 Jan 2012 ; Gesehen am 18.06.2018}, journal={Physical chemistry, chemical physics}, doi={10.1039/C2CP23709A}, } @article{UBHD-68262817, author={Sala, Matthieu and Meyer, Hans-Dieter}, title={Laser-induced enhancement of tunneling in NHD2}, year={2012}, pages={11 S.}, language={eng}, issn={1089-7690}, volume={136(2012}, note={Published online 21 May 2012 ; Gesehen am 19.06.2018}, journal={The journal of chemical physics}, doi={10.1063/1.4718591}, } @book{UBHD-68639312, author={Santra, Robin and Cederbaum, Lorenz S. and Meyer, Hans-Dieter}, title={Electronic decay of molecular clusters}, subtitle={non-stationary states computed by standard quantum chemistry methods}, publisher={IWR}, address={Heidelberg}, year={1999}, pages={12 S.}, language={eng}, number={ARRAY(0x55c9b6c56e68)}, series={Preprint / Interdisziplin{\"a}res Zentrum f{\"u}r Wissenschaftliches Rechnen, IWR}, note={Literaturverz. S. 10 - 12}, } @article{UBHD-68412665, author={Scheit, Simona and Goswami, Sugata and Meyer, Hans-Dieter and K{\"o}ppel, Horst}, title={Fully quantal treatment of nonadiabatic molecular photodynamics}, subtitle={general considerations and application to the benzene cation}, year={2019}, pages={71-84}, language={eng}, issn={2210-271X}, volume={1150}, note={Gesehen am 26.07.2019}, journal={Computational and theoretical chemistry}, doi={10.1016/j.comptc.2019.01.011}, } @article{UBHD-68623210, author={Schr{\"o}der, Markus and Meyer, Hans-Dieter}, title={Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method}, year={2014}, pages={14$p141(2014,3) Artikel-Nummer 034116, 14 Seiten S.}, language={eng}, issn={1089-7690}, volume={141}, number={3}, note={Gesehen am 03.08.2020}, journal={The journal of chemical physics}, doi={10.1063/1.4890116}, } @article{UBHD-69006954, author={Schr{\"o}der, Markus and Gatti, Fabien and Lauvergnat, David and Meyer, Hans-Dieter and Vendrell, Oriol}, title={The coupling of the hydrated proton to its first solvation shell}, year={2022}, pages={1-9}, language={eng}, issn={2041-1723}, volume={13}, number={Artikel-ID 6170}, note={Gesehen am 17.01.2023}, journal={Nature Communications}, doi={10.1038/s41467-022-33650-w}, url={https://doi.org/10.1038/s41467-022-33650-w}, library={UB}, } @article{UBHD-68978824, author={Schr{\"o}der, Markus and Gatti, Fabien and Meyer, Hans-Dieter}, title={Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time-dependent Hartree approach}, year={2011}, pages={1-10}, language={eng}, issn={1089-7690}, volume={134}, note={Gesehen am 26.10.2022}, journal={The journal of chemical physics}, doi={10.1063/1.3600343}, } @article{UBHD-68241413, author={Schr{\"o}der, Markus and Meyer, Hans-Dieter}, title={Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte Carlo methods}, year={2017}, pages={17 S.}, language={eng}, issn={1089-7690}, volume={147(2017}, note={Gesehen am 10.04.2018}, journal={The journal of chemical physics}, doi={10.1063/1.4991851}, } @article{UBHD-69358161, author={Shi, Lei and Schr{\"o}der, Markus and Meyer, Hans-Dieter and Peláez, Daniel and Wodtke, Alec M. and Golibrzuch, Kai and Sch{\"o}nemann, Anna-Maria and Kandratsenka, Alexander and Gatti, Fabien}, title={Erratum: “Quantum and classical molecular dynamics for H atom scattering from graphene” (J. Chem. Phys. 159, 194102 (2023))}, year={2024}, pages={059901-1-059901-2}, language={eng}, issn={1089-7690}, volume={161}, note={Online ver{\"o}ffentlicht: 2. August 2024 ; Gesehen am 23.06.2025}, journal={The journal of chemical physics}, doi={10.1063/5.0227504}, } @article{UBHD-69347687, author={Shi, Lei and Schr{\"o}der, Markus and Meyer, Hans-Dieter and Peláez, Daniel and Wodtke, Alec Michael and Golibrzuch, Kai and Sch{\"o}nemann, Anna-Maria and Kandratsenka, Alexander and Gatti, Fabien}, title={Full quantum dynamics study for H atom scattering from graphene}, year={2025}, pages={1896-1907}, language={eng}, issn={1520-5215}, volume={129}, number={7}, note={Gesehen am 23.05.2025}, journal={The journal of physical chemistry}, doi={10.1021/acs.jpca.4c06712}, } @article{UBHD-69191526, author={Shi, Lei and Schr{\"o}der, Markus and Meyer, Hans-Dieter and Peláez, Daniel and Wodtke, Alec M. and Golibrzuch, Kai and Sch{\"o}nemann, Anna-Maria and Kandratsenka, Alexander and Gatti, Fabien}, title={Quantum and classical molecular dynamics for H atom scattering from graphene}, year={2023}, pages={1-14}, language={eng}, issn={1089-7690}, volume={159}, note={Gesehen am 13.03.2024}, journal={The journal of chemical physics}, doi={10.1063/5.0176655}, } @article{UBHD-68994068, author={Vendrell, Oriol and Meyer, Hans-Dieter}, title={Multilayer multiconfiguration time-dependent Hartree method}, subtitle={implementation and applications to a Henon-Heiles Hamiltonian and to pyrazine}, year={2011}, pages={1-16}, language={eng}, issn={1089-7690}, volume={134}, note={Gesehen am 07.12.2022}, journal={The journal of chemical physics}, doi={10.1063/1.3535541}, } @article{UBHD-68753963, author={Wang, Haobin and Meyer, Hans-Dieter}, title={Importance of appropriately regularizing the ML-MCTDH equations of motion}, year={2021}, pages={3077-3087}, language={eng}, issn={1520-5215}, volume={125}, number={15}, note={Gesehen am 29.06.2021}, journal={The journal of physical chemistry}, doi={10.1021/acs.jpca.0c11221}, } @article{UBHD-68399246, author={Wang, Haobin and Meyer, Hans-Dieter}, title={On regularizing the ML-MCTDH equations of motion}, year={2018}, pages={12 S.}, language={eng}, issn={1089-7690}, volume={149(2018}, note={Gesehen am 17.06.2019}, journal={The journal of chemical physics}, doi={10.1063/1.5042776}, }