Efficient implementation of the Projection Operator Imaginary Time Spectral Evolution (POITSE) method for excited states

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We describe and systematically analyze new implementations of the Projection Operator Imaginary Time Spectral Evolution (POITSE) method for the Monte Carlo evaluation of excited state energies. The POITSE method involves the computation of a correlation function in imaginary time. Decay of this function contains information about excitation energies, which can be extracted by a spectral transform. By incorporating branching processes in the Monte Carlo propagation, we compute these correlation functions with significantly reduced statistical noise. Our approach allows for the stable evaluation of small energy differences in situations where the previous POITSE implementation was limited by this noise.
16 pages, 5 figures

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Computational Physics, Chemical Physics

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http://salesiana.dossiersoluciones.com/handle/123456789/84594

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/physics/0203012
 http://arxiv.org/abs/physics/0203012
 P. Huang, A. Viel, and K. B. Whaley, in "Recent Advances in Quantum Monte Carlo Methods, Part II", edited by W. A. Lester, Jr., S. M. Rothstein, and S. Tanaka (World Scientific, Singapore, 2002), p. 111

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arXiv