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Results: 1-10 |
Results: 10
A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalisation methods for computing bound-state spectra. Applicationto HO2
Authors: Gatti, F Beck, MH Worth, GA Meyer, HD
Citation: F. Gatti et al., A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalisation methods for computing bound-state spectra. Applicationto HO2, PHYS CHEM P, 3(9), 2001, pp. 1576-1582
The (A)over-tilde(2)E/(B)over-tilde(2)B(2) photoelectron bands of allene beyond the linear coupling scheme: An ah initio dynamical study including all fifteen vibrational modest
Authors: Mahapatra, S Worth, GA Meyer, HD Cederbaum, LS Koppel, H
Citation: S. Mahapatra et al., The (A)over-tilde(2)E/(B)over-tilde(2)B(2) photoelectron bands of allene beyond the linear coupling scheme: An ah initio dynamical study including all fifteen vibrational modest, J PHYS CH A, 105(23), 2001, pp. 5567-5576
All mode dynamics at the conical intersection of an octa-atomic molecule: Multi-configuration time-dependent Hartree (MCTDH) investigation on the butatriene cation
Authors: Cattarius, C Worth, GA Meyer, HD Cederbaum, LS
Citation: C. Cattarius et al., All mode dynamics at the conical intersection of an octa-atomic molecule: Multi-configuration time-dependent Hartree (MCTDH) investigation on the butatriene cation, J CHEM PHYS, 115(5), 2001, pp. 2088-2100
Quantum dynamics using pseudo-particle trajectories: A new approach based on the multiconfiguration time-dependent Hartree method
Authors: Worth, GA
Citation: Ga. Worth, Quantum dynamics using pseudo-particle trajectories: A new approach based on the multiconfiguration time-dependent Hartree method, J CHEM PHYS, 114(4), 2001, pp. 1524-1533
Electron transfer along a conjugated chain: the allene radical cation
Authors: Worth, GA Cederbaum, LS
Citation: Ga. Worth et Ls. Cederbaum, Electron transfer along a conjugated chain: the allene radical cation, CHEM P LETT, 348(5-6), 2001, pp. 477-482
Mediation of ultrafast electron transfer in biological systems by conical intersections
Authors: Worth, GA Cederbaum, LS
Citation: Ga. Worth et Ls. Cederbaum, Mediation of ultrafast electron transfer in biological systems by conical intersections, CHEM P LETT, 338(4-6), 2001, pp. 219-223
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
Authors: Beck, MH Jackle, A Worth, GA Meyer, HD
Citation: Mh. Beck et al., The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets, PHYS REPORT, 324(1), 2000, pp. 1-105
Accurate wave packet propagation for large molecular systems: The multiconfiguration time-dependent Hartree (MCTDH) method with selected configurations
Authors: Worth, GA
Citation: Ga. Worth, Accurate wave packet propagation for large molecular systems: The multiconfiguration time-dependent Hartree (MCTDH) method with selected configurations, J CHEM PHYS, 112(19), 2000, pp. 8322-8329
Molecular dynamics of pyrazine after excitation to the S-2 electronic state using a realistic 24-mode model Hamiltonian
Authors: Raab, A Worth, GA Meyer, HD Cederbaum, LS
Citation: A. Raab et al., Molecular dynamics of pyrazine after excitation to the S-2 electronic state using a realistic 24-mode model Hamiltonian, J CHEM PHYS, 110(2), 1999, pp. 936-946
State filtering by a bath: up to 24 mode numerically exact wavepacket propagations
Authors: Worth, GA Meyer, HD Cederbaum, LS
Citation: Ga. Worth et al., State filtering by a bath: up to 24 mode numerically exact wavepacket propagations, CHEM P LETT, 299(5), 1999, pp. 451-456
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