On the connection between Fourier coefficient and Discretized Cartesian path integration
The relationship between so-called Discretized and Fourier coefficient formulations of Cartesian path integration is examined. In particular, an intimate connection between the two is established by rewriting the Discretized formulation in a manifestly Fourier-like way. This leads to improved unders...
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Veröffentlicht in: | J. Chem. Phys.; (United States) 1986-07, Vol.85 (2), p.926-936 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | The relationship between so-called Discretized and Fourier coefficient formulations of Cartesian path integration is examined. In particular, an intimate connection between the two is established by rewriting the Discretized formulation in a manifestly Fourier-like way. This leads to improved understanding of both the limit behavior and the convergence properties of computational prescriptions based on the two formalisms. The performance of various prescriptions is compared with regard to calculation of on-diagonal statistical density matrix elements for a number of prototypical 1-d potentials. A consistent convergence order among these prescriptions is established. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.451248 |