Discretized path integral method and properties of a quantum system

Sethi, Ashok ; Sanyal, Sudip ; Singh, Yashwant (1990) Discretized path integral method and properties of a quantum system Journal of Chemical Physics, 93 (10). pp. 7268-7266. ISSN 0021-9606

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Official URL: http://link.aip.org/link/jcpsa6/v93/i10/p7268/s1

Related URL: http://dx.doi.org/10.1063/1.459450


Using the discretized path integral formalism we develop a numerically convenient and accurate method for evaluating the finite time propagator (and density matrix) of a given system. The eigenfunctions and energies of large number of states of the system are also found. We demonstrate the accuracy of the method by computing eigenvalues, eigenfunctions, position and flux autocorrelation functions and complex time propagators for a large number of systems and comparing these results with those available from other sources. In all the cases we find very good agreement. The method thus provides a very simple and accurate procedure for the study of static and dynamic properties of a quantum system.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
Keywords:Quantum Chemistry; Feynman Path Integral; Electronic Structure; Eigenfunctions; Molecules
ID Code:47951
Deposited On:12 Jul 2011 11:31
Last Modified:12 Jul 2011 11:31

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