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Diagonalization of a real-symmetric Hamiltonian by genetic algorithm: A recipe based on minimization of Rayleigh quotient

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Abstract

A genetic algorithm-based recipe involving minimization of the Rayleigh quotient is proposed for the sequential extraction of eigenvalues and eigenvectors of a real symmetric matrix with and without basis optimization. Important features of the method are analysed, and possible directions of development suggested

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Author notes

  1. Subhajit Nandy

    Present address: Andrew’s High (H.S.) School, 700 031, Kolkata, India

Authors and Affiliations

  1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, 700 032, Kolkata, India

    Subhajit Nandy, Pinaki Chaudhury & S. P. Bhattacharyya

  2. Ramakrishna Mission Vidyamandira, Belur Math, 711 202, Howrah, India

    Pinaki Chaudhury

Authors
  1. Subhajit Nandy
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  2. Pinaki Chaudhury
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  3. S. P. Bhattacharyya
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Corresponding author

Correspondence to S. P. Bhattacharyya.

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Nandy, S., Chaudhury, P. & Bhattacharyya, S.P. Diagonalization of a real-symmetric Hamiltonian by genetic algorithm: A recipe based on minimization of Rayleigh quotient. J Chem Sci 116, 285–291 (2004). https://doi.org/10.1007/BF02708279

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  • DOI: https://doi.org/10.1007/BF02708279

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