TITLE

Benchmark calculations on high-dimensional Henon–Heiles potentials with the multi-configuration time dependent Hartree (MCTDH) method

AUTHOR(S)
Nest, M.; Meyer, H.-D.
PUB. DATE
December 2002
SOURCE
Journal of Chemical Physics;12/15/2002, Vol. 117 Issue 23, p10499
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We present quantum dynamical simulations on generalized, high-dimensional Henon-Heiles potentials. The calculations can serve as benchmark results for other, approximative methods. Especially, we will give a comparison with semiclassical and Gaussian wave packet Monte Carlo calculations from two other groups. The scaling behavior of the multi-configuration time dependent Hartree method with the dimensionality of the problem is investigated and discussed.
ACCESSION #
8633219

 

Related Articles

  • Quantum computing. Wilkinson, Scott // Electronic Musician;Sep97, Vol. 13 Issue 9, p178 

    Focuses on how quantum mechanics might be used to create a different type of computer. Information on quantum computing; Overview of the quantum computing theory testing at the International Business Machine's (IBM) Almaden Research Center; Comments on the technology.

  • A quantitative theory of linear chain polymer dynamics in the melt. II. Comparison with simulation data. Herman, Michael F.; Panajotova, Biliana; Lorenz, K. Thomas // Journal of Chemical Physics;7/15/1996, Vol. 105 Issue 3, p1162 

    Estimates are evaluated for all constants in the theory of polymer dynamics developed in the preceding paper. These theoretical estimates are employed in calculations on the many chain systems simulated previously by Kremer and Grest and by Paul and co-workers. The agreement between the...

  • Hierarchic theory of matter, general for liquids and solids: Ice, water & phase transitions. Kaivarainen, Alex // AIP Conference Proceedings;2001, Vol. 573 Issue 1, p181 

    A background of new Hierarchic theory, general for solids and liquids (Kaivarainen, 1993, 1995, 2000) is described and illustrated by mean of computer simulations on examples of pure water and ice. Condensed matter is considered as gas of 3D standing waves (collective excitations) of different...

  • Can the density maximum of water be found by computer simulation? Billeter, S. R.; King, P. M.; van Gunsteren, W. F. // Journal of Chemical Physics;5/1/1994, Vol. 100 Issue 9, p6692 

    Path integral molecular dynamics (PIMD) simulations of the extended simple point charge (SPC/E) model of liquid water (both H2O and D2O) have been performed in order to find the temperature at which the maximum liquid density is obtained. For comparison, purely classical SPC and SPC/E water have...

  • Theoretical studies on the femtosecond real-time measurement of ultrafast electronic decay in polyatomic molecules. Stock, G.; Schneider, R.; Domcke, W. // Journal of Chemical Physics;6/15/1989, Vol. 90 Issue 12, p7184 

    We present a computer simulation of the real-time detection of ultrafast electronic decay dynamics in polyatomic molecules with femtosecond laser pulses. The intramolecular non-Born-Oppenheimer quantum dynamics is treated numerically exactly for a two-state three-mode vibronic coupling model...

  • Numerical Simulation of InAs nBn Back-Illuminated Detectors. Schuster, Jonathan; Keasler, Craig; Reine, Marion; Bellotti, Enrico // Journal of Electronic Materials;Oct2012, Vol. 41 Issue 10, p2981 

    We are developing a numerical simulation model for back-illuminated nBn detectors. This model is based on the simultaneous numerical solution of the carrier continuity equations and Poisson equation on a three-dimensional finite-element grid. This paper reports our initial results for...

  • Dynamic modeling of a midinfrared quantum cascade laser. Hamadou, A.; Lamari, S.; Thobel, J.-L. // Journal of Applied Physics;May2009, Vol. 105 Issue 9, p093116 

    Based on a three-level rate equations model, we analyze through numerical simulations the population and photon number dynamics present within the cavity of a midinfrared quantum cascade laser. We find in particular that the injection current influences significantly the electron number dynamics...

  • Transformations of diepoxy derivatives of limonene in homogeneous acidic media. Salomatina, O. V.; Yarovaya, O. I.; Korchagina, D. V.; Gatilov, Yu. V.; Polovinka, M. P.; Barkhash, V. A. // Russian Journal of Organic Chemistry;Sep2006, Vol. 42 Issue 9, p1313 

    Transformations of diepoxy derivatives of limonene under conditions of homogeneous acid catalysis were studied, and their results were compared with those obtained over heterogeneous catalysts. A number of previously unknown compounds were isolated. The most possible transformation pathways were...

  • A study of the transport of charge carriers in coupled quantum regions. Konoplev, B.; Ryndin, E. // Semiconductors;Dec2008, Vol. 42 Issue 13, p1462 

    Specific features of controlled relocation of charge carriers in nanostructures based on tunnelingcoupled quantum regions formed by GaAs/AlGaAs heterojunctions are considered. The results of numerical simulation of dynamics of controlled tunneling relocation of the maximum in the amplitudes of...

Share

Read the Article

Courtesy of VIRGINIA BEACH PUBLIC LIBRARY AND SYSTEM

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics