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Wavepacket dynamics and the multi-configurational time-dependent Hartree approach
Uwe Manthe
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hal-02018432v1
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Communication: Ro-vibrational control of chemical reactivity in H+CH 4 → H 2 +CH 3 : Full-dimensional quantum dynamics calculations and a sudden model
Ralph Welsch
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Uwe Manthe
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hal-02018446v1
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A multi-configurational time-dependent Hartree approach to the eigenstates of multi-well systems
Robert Wodraszka
,
Uwe Manthe
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hal-02018456v1
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Quantum dynamics of the H+CH4→H2+CH3 reaction in curvilinear coordinates: Full-dimensional and reduced dimensional calculations of reaction rates
Gerd Schiffel
,
Uwe Manthe
Article dans une revue
hal-02018489v1
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On the integration of the multi-configurational time-dependent Hartree (MCTDH) equations of motion
Uwe Manthe
Article dans une revue
istex
hal-02018506v1
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Multiconfigurational time-dependent Hartree calculations for dissociative adsorption of H2 on Cu(100)
Rob van Harrevelt
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Uwe Manthe
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hal-02018322v1
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Wavepacket dynamics in five dimensions. Photodissociation of methyl iodide
Uwe Manthe
,
Audrey Dell Hammerich
Article dans une revue
istex
hal-02017541v1
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Vibronically and spin-orbit coupled diabatic potentials for X(P) + CH 4 → HX + CH 3 reactions: General theory and application for X(P) = F( 2 P)
Tim Lenzen
,
Uwe Manthe
Article dans une revue
hal-02145158v1
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Off-normal incidence dissociative sticking of H2 on Cu(100) studied using six-dimensional quantum calculations
Rob van Harrevelt
,
Uwe Manthe
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hal-02018513v1
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Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl
Uwe Manthe
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Hans-Dieter Meyer
,
L. S. Cederbaum
Article dans une revue
hal-02017491v1
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Full-dimensional quantum dynamics calculations for H + CHD 3 → H 2 + CD 3 : The effect of multiple vibrational excitations
Roman Ellerbrock
,
Uwe Manthe
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hal-02018408v1
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Non-adiabatic effects in F + CHD3 reactive scattering
Juliana Palma
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Uwe Manthe
Article dans une revue
hal-02018415v1
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Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH 4 → H 2 + CH 3 reaction on a neural network PES
Ralph Welsch
,
Uwe Manthe
Article dans une revue
hal-02018442v1
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On the multi-layer multi-configurational time-dependent Hartree approach for bosons and fermions
Uwe Manthe
,
Thomas Weike
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hal-02022143v1
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Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH 3 I@resorc[4]arene
Till Westermann
,
Ralf Brodbeck
,
Alexander Rozhenko
,
Wolfgang Schoeller
,
Uwe Manthe
Article dans une revue
hal-02018472v1
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Loss of Memory in H + CH 4 → H 2 + CH 3 State-to-State Reactive Scattering
Ralph Welsch
,
Uwe Manthe
Article dans une revue
hal-02018443v1
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A potential energy surface construction scheme for accurate reaction rate calculations: General approach and a test for the H+CH4→H2+CH3 reaction
Tao Wu
,
Uwe Manthe
Article dans une revue
hal-02018256v1
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Degeneracy in discrete variable representations: General considerations and application to the multiconfigurational time-dependent Hartree approach
Rob van Harrevelt
,
Uwe Manthe
Article dans une revue
hal-02018516v1
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Photoionization-induced dynamics of ammonia: Ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation
Alexandra Viel
,
Wolfgang Eisfeld
,
Stefanie Neumann
,
Wolfgang Domcke
,
Uwe Manthe
Article dans une revue
hal-01118375v1
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The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH 4 → H 2 + CH 3 reaction
Ralph Welsch
,
Uwe Manthe
Article dans une revue
hal-02018449v1
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Iterative Diagonalization in the Multiconfigurational Time-Dependent Hartree Approach: Ro-vibrational Eigenstates
Robert Wodraszka
,
Uwe Manthe
Article dans une revue
hal-02018454v1
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Photodissociation of CH 3 I: A Full-Dimensional (9D) Quantum Dynamics Study
Christian R. Evenhuis
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Uwe Manthe
Article dans une revue
hal-02018471v1
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The multi-configurational time-dependent Hartree approach
H.-D. Meyer
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Uwe Manthe
,
L. S. Cederbaum
Article dans une revue
istex
hal-02017481v1
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Counter-propagating wave packets in the quantum transition state approach to reactive scattering
Bin Zhao
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Uwe Manthe
Article dans une revue
hal-02145157v1
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Accurate quantum calculations of the reaction rates for H∕D+CH4
Rob van Harrevelt
,
Gunnar Nyman
,
Uwe Manthe
Article dans une revue
hal-02018498v1
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Multidimensional time-dependent discrete variable representations in multiconfiguration Hartree calculations
Rob van Harrevelt
,
Uwe Manthe
Article dans une revue
hal-02018512v1
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Quantum mechanical calculation of the OH+HCl→H2O+Cl reaction rate: Full-dimensional accurate, centrifugal sudden, and J -shifting results
Fermín Huarte-Larrañaga
,
Uwe Manthe
Article dans une revue
hal-02018251v1
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The ground state tunneling splitting of malonaldehyde: Accurate full dimensional quantum dynamics calculations
Maurício D. Coutinho-Neto
,
Alexandra Viel
,
Uwe Manthe
Article dans une revue
hal-01118369v1
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Full-dimensional quantum study of the vibrational predissociation of the I2⋯Ne2 cluster
Christoph Meier
,
Uwe Manthe
Article dans une revue
hal-02017880v1
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REACTION RATES: ACCURATE QUANTUM DYNAMICAL CALCULATIONS FOR POLYATOMIC SYSTEMS
Uwe Manthe
Article dans une revue
hal-02018233v1
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