Discrete Variable Representations in Quantum Dynamics
作者： John C. Light
DOI: 10.1007/978-1-4899-2326-4_14
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摘要: A derivation of discrete variable representations (DVR’s) is given, with emphasis on formal properties and relations to the classical orthogonal polynomials. These “Gaussian quadrature” DVR’s are compared several different proposed recently. Finally, some cautions brief comparisons accuracy noted for quantum solutions large amplitude motions triatomic molecules (H2O in this case).
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John C. Light, Seung E. Choi, Vibrational Level Structures and Resonances in Triatomic Molecules: H2o Springer, Dordrecht. pp. 67- 86 ,(1991) , 10.1007/978-94-011-2642-7_5
R. D. Levine, Joshua Jortner, Mode Selective Chemistry Springer Netherlands. pp. 535- 571 ,(1991) , 10.1007/978-94-011-2642-7_36
Kenneth C. Kulander, Time-dependent methods for quantum dynamics North-Holland , Sole distributors for the USA, Elsevier Science Pub. Co.. ,(1991)
Garrison Sposito, A. Krzywicki, P. Dennery, Mathematics for physicists ,(1967)
David Gottlieb, Steven A Orszag, Numerical analysis of spectral methods ,(1977)
David Gottlieb, Steven A. Orszag, Numerical Analysis of Spectral Methods Society for Industrial and Applied Mathematics. ,(1977) , 10.1137/1.9781611970425
Jonathan Tennyson, James R. Henderson, Highly excited rovibrational states using a discrete variable representation: The H+3 molecular ion Journal of Chemical Physics. ,vol. 91, pp. 3815- 3825 ,(1989) , 10.1063/1.456867
T. L. Gilbert, P. J. Bertoncini, Spline representation. I. Linear spline bases for atomic calculations Journal of Chemical Physics. ,vol. 61, pp. 3026- 3036 ,(1974) , 10.1063/1.1682457
Daniel T. Colbert, William H. Miller, A novel discrete variable representation for quantum mechanical reactive scattering via the S-matrix Kohn method Journal of Chemical Physics. ,vol. 96, pp. 1982- 1991 ,(1992) , 10.1063/1.462100
M. D. Feit, J. A. Fleck, Solution of the Schrödinger equation by a spectral method II: Vibrational energy levels of triatomic molecules The Journal of Chemical Physics. ,vol. 78, pp. 301- 308 ,(1983) , 10.1063/1.444501