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

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dc.creatorHuang, Patrick
dc.creatorViel, Alexandra
dc.creatorWhaley, K. Birgitta
dc.date2002-03-05
dc.date.accessioned2026-07-07T05:47:08Z
dc.date.available2026-07-07T05:47:08Z
dc.descriptionWe 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.
dc.description16 pages, 5 figures
dc.identifierhttps://arxiv.org/abs/physics/0203012
dc.identifierhttp://arxiv.org/abs/physics/0203012
dc.identifierP. 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
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/84594
dc.subjectComputational Physics
dc.subjectChemical Physics
dc.titleEfficient implementation of the Projection Operator Imaginary Time Spectral Evolution (POITSE) method for excited states
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