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Zero point energy of the Pullen–Edmonds Hamiltonian

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Abstract

Here we wish to apply the newly developed Generalized Moments Expansion (GMX) to the well-known potential

$$U(x, y) = \frac{1}{2}\left( x^{2}+y^{2}\right) + \alpha x^{2}y^{2},$$

which is used to model such molecular systems as formamide (HCONH2) and carbon suboxide (C3O2). Our motivation is to investigate the numerical accuracy as well as the viability of the GMX for evaluating ground-state energies of quantum Hamiltonian systems. The zero-point energy of this potential is calculated and results are compared to those of a related Canonical Sequence Method approach (CSM).

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Authors and Affiliations

  1. Physics Department, Fordham University, Bronx, NY, 10458, USA

    Vassilios Fessatidis & Mauricio Campuzano

  2. Department of Physical Sciences, Kingsborough College of the City University of New York, 2001 Oriental Boulevard, Brooklyn, NY, 11235, USA

    Jay D. Mancini

  3. Department of Chemistry and Physics, Chicago State University, Chicago, IL, 60628, USA

    Samuel P. Bowen

Authors
  1. Vassilios Fessatidis
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  2. Jay D. Mancini
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  3. Samuel P. Bowen
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  4. Mauricio Campuzano
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Correspondence to Vassilios Fessatidis.

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Fessatidis, V., Mancini, J.D., Bowen, S.P. et al. Zero point energy of the Pullen–Edmonds Hamiltonian. J Math Chem 44, 20–27 (2008). https://doi.org/10.1007/s10910-007-9289-8

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  • DOI: https://doi.org/10.1007/s10910-007-9289-8

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