Benchmark calculations on high-dimensional Henon–Heiles potentials with the multi-configuration time dependent Hartree (MCTDH) method
暂无分享,去创建一个
[1] O. Prezhdo,et al. Extension of quantized Hamilton dynamics to higher orders , 2002 .
[2] Haobin Wang,et al. Generalized Filinov transformation of the semiclassical initial value representation , 2001 .
[3] D. Shalashilin,et al. Multidimensional quantum propagation with the help of coupled coherent states , 2001 .
[4] Lorenz S. Cederbaum,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 , 2001 .
[5] Theoretische Chemie,et al. On the Effect of Initial Rotation on Reactivity. A Multi-Configuration Time-Dependent Hartree (MCTDH) Wave Packet Propagation Study on the H + D2 and D + H2 Reactive Scattering Systems † , 2001 .
[6] Haobin Wang,et al. Basis set approach to the quantum dissipative dynamics: Application of the multiconfiguration time-dependent Hartree method to the spin-boson problem , 2000 .
[7] M. Brewer. ON THE SCALING OF SEMICLASSICAL INITIAL VALUE METHODS , 1999 .
[8] J. Light,et al. Phase space optimization of quantum representations: Direct-product basis sets , 1999 .
[9] Guo-Wei Wei,et al. Discrete singular convolution for the solution of the Fokker–Planck equation , 1999 .
[10] G. Worth,et al. Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24-mode model Hamiltonian , 1999 .
[11] G. Worth,et al. Relaxation of a system with a conical intersection coupled to a bath: A benchmark 24-dimensional wave packet study treating the environment explicitly , 1998 .
[12] D. Hoffman,et al. Distributed approximating functional approach to the Fokker-Planck equation: Eigenfunction expansion , 1997 .
[13] Uwe V. Riss,et al. Investigation on the reflection and transmission properties of complex absorbing potentials , 1996 .
[14] D. Manolopoulos,et al. A new semiclassical initial value method for Franck-Condon spectra , 1996 .
[15] A. Jansen,et al. MCTDH study of CH4 dissociation on Ni(111) , 1995 .
[16] Hua Guo,et al. Multiconfiguration time‐dependent Hartree studies of the Cl2Ne vibrational predissociation dynamics , 1995 .
[17] Uwe V. Riss,et al. Calculation of resonance energies and widths using the complex absorbing potential method , 1993 .
[18] Law,et al. Quantum beats and chaos in the Hénon-Heiles Hamiltonian. , 1993, Physical review letters.
[19] Lorenz S. Cederbaum,et al. Multiconfigurational time‐dependent Hartree study of complex dynamics: Photodissociation of NO2 , 1992 .
[20] U. Manthe,et al. Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl , 1992 .
[21] V. Engel. The calculation of autocorrelation functions for spectroscopy , 1992 .
[22] Kay,et al. Semiclassical expectation values by adiabatic switching: Trapping and tunneling in the chaotic regime. , 1990, Physical review. A, Atomic, molecular, and optical physics.
[23] U. Manthe,et al. The multi-configurational time-dependent Hartree approach , 1990 .
[24] F. T. Hioe,et al. Stability-instability transitions in Hamiltonian systems of n dimensions. , 1987, Physical review. A, General physics.
[25] M. Feit,et al. Solution of the Schrödinger equation by a spectral method , 1982 .
[26] M. Hénon,et al. The applicability of the third integral of motion: Some numerical experiments , 1964 .
[27] U. Manthe,et al. Combined iterative diagonalization and statistical sampling in accurate reaction rate calculations: Rotational effects in O+HCl -> OH+Cl , 2000 .
[28] M. Beck,et al. The multiconfiguration time-dependent Hartree (MCTDH) method: A highly efficient algorithm for propa , 1999 .
[29] Jan Broeckhove,et al. Time-dependent quantum molecular dynamics , 1992 .