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Free Access
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ESAIM: M2AN
Volume 44, Number 4, July-August 2010
Page(s) 759 - 780
DOI https://doi.org/10.1051/m2an/2010018
Published online 23 February 2010
  1. M.H. Beck, A. Jäckle, G.A. Worth and H.-D. Meyer, The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets. Phys. Rep. 324 (2000) 1–105. [CrossRef]
  2. G. Friesecke, The multiconfiguration equations for atoms and molecules: charge quantization and existence of solutions. Arch. Ration. Mech. Anal. 169 (2003) 35–71. [CrossRef] [MathSciNet]
  3. R.A. Horn and C.R. Johnson, Matrix Analysis. Cambridge Univ. Press, UK (1985).
  4. B.N. Khoromskij, Structured rank-(R1, ..., Rd) decomposition of function-related tensors in Formula . Comput. Meth. Appl. Math. 6 (2006) 194–220.
  5. O. Koch and C. Lubich, Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics. ESAIM: M2AN 41 (2007) 315–331. [CrossRef] [EDP Sciences] [MathSciNet]
  6. O. Koch and C. Lubich, Dynamical low-rank approximation. SIAM J. Matrix Anal. Appl. 29 (2007) 434–454. [CrossRef] [MathSciNet]
  7. O. Koch and C. Lubich, Dynamical tensor approximation. Preprint (2009).
  8. T.G. Kolda and B.W. Bader, Tensor decompositions and applications. SIAM Rev. 51 (2009) 455–500. [CrossRef] [MathSciNet]
  9. M. Lewin, Solutions of the multiconfiguration equations in quantum chemistry. Arch. Ration. Mech. Anal. 171 (2004) 83–114. [CrossRef] [MathSciNet]
  10. C. Lubich, On variational approximations in quantum molecular dynamics. Math. Comp. 74 (2005) 765–779. [CrossRef] [MathSciNet]
  11. C. Lubich, From Quantum to Classical Molecular Dynamics: Reduced Models and Numerical Analysis. Europ. Math. Soc., Zurich, Switzerland (2008).
  12. H.-D. Meyer, F. Gatti and G.A. Worth, Eds., Multidimensional Quantum Dynamics: MCTDH Theory and Applications. Wiley, New York, USA (2009).
  13. H.-D. Meyer, U. Manthe and L.S. Cederbaum, The multi-configurational time-dependent Hartree approach. Chem. Phys. Lett. 165 (1990) 73–78. [CrossRef]
  14. H.-D. Meyer and G.A. Worth, Quantum molecular dynamics: propagating wavepackets and density operators using the multi-configuration time-dependent Hartree (MCTDH) method. Theo. Chem. Acc. 109 (2003) 251–267. [CrossRef]
  15. A. Raab, G.A. Worth, H.-D. Meyer and L.S. Cederbaum, Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24-mode model Hamiltonian. J. Chem. Phys. 110 (1999) 936–946. [CrossRef]
  16. B. Thaller, Visual Quantum Mechanics. Springer, New York, USA (2000).
  17. H. Wang and M. Thoss, Multilayer formulation of the multiconfiguration time-dependent Hartree theory. J. Chem. Phys. 119 (2003) 1289–1299. [CrossRef]

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