Comments on the series of works by V.\,K.~Mukhomorov on the theory of continual polaron and two-center bipolaron (axisymmetrical quasi-molecular dimer)

N. I. Kashirina ; V. D. Lakhno

Matematičeskaâ biologiâ i bioinformatika, Tome 2 (2007) no. 2, pp. 327-346.

Résumé

Some criticisms on a number of works by V. K. Mukhomorov are adduced. The works under consideration are devoted to investigation of polarons as well as computations of the energy and examination of vibrational spectrum and rotational spectrum of the large radius bipolaron near secondary minimum, which corresponds to two-centered configuration. The V. K. Mukhomorov's statement, that when functional of bipolaron is varying then not absolute minimum but conditional minimum should be found, has been showed to be erroneous. Taking into account electronic correlations, which correspond to direct dependence of the wave function of the system on the distance between electrons does not violate the virial theorem. In the strong-coupling limit virial theorem is fulfilled both for one-center state and for two-center bipolaron state, which represents secondary minimum; this minimum emerges when the choice of variation function is not flexible enough.

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