Search Results - "Burghardt I"

The molecular transition state: from regular to chaotic dynamics.

Authors: Burghardt, I. Gaspard, P.

Source: Journal of Physical Chemistry; March 2 1995, Vol. 99, p2732-2752, 21p

Towards a variational formulation of mixed quantum-classical molecular dynamics.

Authors: Römer, S. Burghardt, I.

Source: Molecular Physics. Dec2013, Vol. 111 Issue 22/23, p3618-3624. 7p.

Subjects: Quantum theory, Molecular dynamics, Multi-configurational self-consistent field method, Variational principles, Wave packets

Ultrafast Electronic Processes At Semiconductor Polymer Heterojunctions: A Molecular-Level, Quantum-Dynamical Analysis.

Authors: Burghardt, I. Bittner, E. R. Tamura, H.

Source: AIP Conference Proceedings. 3/9/2009, Vol. 1102 Issue 1, p138-143. 6p. 1 Diagram, 1 Graph.

Compact MCTDH Wave Functions for High-DimensionalSystem-Bath Quantum Dynamics.

Authors: Bonfanti, M. Tantardini, G. F. Hughes, K. H. et al.

Source: Journal of Physical Chemistry A; Nov2012, Vol. 116 Issue 46, p11406-11413, 8p

Multimode quantum dynamics using Gaussian wavepackets: The Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH) method applied to the absorption spectrum of pyrazine.

Authors: Burghardt, I. Giri, K. Worth, G. A.

Source: Journal of Chemical Physics. 11/7/2008, Vol. 129 Issue 17, p174104. 14p. 5 Charts, 9 Graphs.

Hydrodynamic equations for mixed quantum states. I. General formulation.

Authors: Burghardt, I. Cederbaum, L. S.

Source: Journal of Chemical Physics. 12/8/2001, Vol. 115 Issue 22, p10303. 9p.

Hydrodynamic equations for mixed quantum states. II. Coupled electronic states.

Authors: Burghardt, I. Cederbaum, L. S.

Source: Journal of Chemical Physics. 12/8/2001, Vol. 115 Issue 22, p10312. 11p.

The multiconfiguration time-dependent Hartree method generalized to the propagation of density...

Authors: Raab, A. Burghardt, I.

Source: Journal of Chemical Physics. 11/15/1999, Vol. 111 Issue 19, p8759. 14p. 3 Charts, 4 Graphs.

Approaches to the approximate treatment of complex molecular systems by the multiconfiguration...

Authors: Burghardt, I. Meyer, H.-D. Cederbaum, L.S.

Source: Journal of Chemical Physics. 8/15/1999, Vol. 111 Issue 7, p2927. 13p.

Molecular transition state, resonances, and periodic-orbit theory.

Authors: Burghardt, I. Gaspard, P.

Source: Journal of Chemical Physics. 5/1/1994, Vol. 100 Issue 9, p6395. 17p.

This result is not displayed to guests.
Login for full access.

Gaussian-based multiconfiguration time-dependent Hartree: A two-layer approach. III. Application to nonadiabatic dynamics in a charge transfer complex.

Authors: Eisenbrandt, P. Ruckenbauer, M. Burghardt, I.

Source: Journal of Chemical Physics. 11/7/2018, Vol. 149 Issue 17, pN.PAG-N.PAG. 11p. 2 Diagrams, 7 Charts, 4 Graphs.

Reduced dynamics with initial correlations: Multiconfigurational approach.

Authors: Burghardt, I.

Source: Journal of Chemical Physics. 1/1/2001, Vol. 114 Issue 1.

Switch the click: Ultrafast photochemistry of photoDIBO-OH tracked by time-resolved IR spectroscopy.

Authors: Denninger, L. Brunst, H. van Wilderen, L. J. G. W. et al.

Source: Journal of Chemical Physics. 5/7/2024, Vol. 160 Issue 17, p1-7. 7p.

Gaussian-based multiconfiguration time-dependent Hartree: A two-layer approach. I. Theory.

Authors: Römer, S. Ruckenbauer, M. Burghardt, I.

Source: Journal of Chemical Physics. 2/14/2013, Vol. 138 Issue 6, p064106. 13p. 1 Graph.

Unraveling a Brownian particles memory with effective mode chains.

Authors: Martinazzo, R. Hughes, K. H. Burghardt, I.

Source: Physical Review E: Statistical, Nonlinear & Soft Matter Physics. Sep2011, Vol. 84 Issue 3-1, p030102-1-030102-5. 5p.

Symbiodinium diversity in the soft coral Heteroxenia sp. and its nudibranch predator Phyllodesmium lizardensis.

Authors: FitzPatrick, S. Liberatore, K. Garcia, J. et al.

Source: Coral Reefs. Sep2012, Vol. 31 Issue 3, p895-905. 11p. 2 Color Photographs, 1 Diagram, 3 Charts.

Gaussian-based multiconfiguration time-dependent Hartree: A two-layer approach. II. Application to vibrational energy transport in a molecular chain.

Authors: Eisenbrandt, P. Ruckenbauer, M. Römer, S. et al.

Source: Journal of Chemical Physics. 11/7/2018, Vol. 149 Issue 17, pN.PAG-N.PAG. 9p. 2 Diagrams, 3 Charts, 4 Graphs.

Quantum dynamics simulations using Gaussian wavepackets: the vMCG method.

Authors: Richings, G.W. Polyak, I. Spinlove, K.E. et al.

Source: International Reviews in Physical Chemistry. Apr-Jun2015, Vol. 34 Issue 2, p269-308. 40p.

Ab initio quantum dynamical study of photoinduced ring opening in furan.

Authors: Gromov, E. V. Lévêque, C. Gatti, F. et al.

Source: Journal of Chemical Physics. 10/28/2011, Vol. 135 Issue 16, p164305. 11p. 2 Diagrams, 2 Charts, 7 Graphs.