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The complex coordinate scattering theory and the Kohn variational method: A general formulation and application to long range potentials.
- Source :
-
Journal of Chemical Physics . 11/1/1992, Vol. 97 Issue 9, p6443. 8p. - Publication Year :
- 1992
-
Abstract
- The complex coordinate scattering theory for the calculation of T-matrix elements, as was introduced by Engdahl, Moiseyev, and Maniv [J. Chem. Phys. 94, 1636 (1991)] and by Peskin and Moiseyev [J. Chem. Phys. 96, 2347 (1992)], is shown to satisfy the complex version of the Kohn variational principle introduced by Nuttall and Cohen [Phys. Rev. 188, 1542 (1969)]. This theory and the related S-matrix version of the Kohn variational principle, developed by Zhang, Chu, and Miller [J. Chem. Phys. 88, 6233, (1988)] are combined to formulate a generalized variational basis set approach for quantum scattering calculations. In this approach the Kohn variational procedure to optimize the linear parameters in the T matrix is followed by an optimization of the complex nonlinear parameters. This enables the application of the complex coordinate analytical continuation of the T matrix to the calculation of scattering probability amplitudes for long range potentials. Illustrating numerical applications to short and long range potentials are given. [ABSTRACT FROM AUTHOR]
- Subjects :
- *SCATTERING (Physics)
*QUANTUM theory
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 97
- Issue :
- 9
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 7619600
- Full Text :
- https://doi.org/10.1063/1.463702