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Fluctuating local field approach to free energy of one-dimensional molecules with strong collective electronic fluctuations

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dc.contributor.authorStepanov, E. A.
dc.contributor.authorRubtsov, A. N.
dc.contributor.authorLyakhova, Y. S.
dc.contributor.authorЛяхова, Яна Сергеевна
dc.date.accessioned2024-12-26T07:54:07Z
dc.date.available2024-12-26T07:54:07Z
dc.date.issued2022
dc.description.abstract© 2022 American Physical Society.The impact of leading collective electronic fluctuations on a free energy of a prototype 1D model for molecular systems is considered within the recently developed fluctuating local field (FLF) approach. The FLF method is a nonperturbative extension of a mean-field theory, where a self-consistent effective constant field is replaced by a fluctuating one. Integrating the fluctuating field out numerically exactly allows one to account for collective electronic fluctuations mediated by this field without any assumptions on their magnitude, degree of nonlinearity, etc. Using a half-filled Hubbard ring as a benchmark system, we find that the FLF method noticeably improves a mean-field estimation for the free energy, in particular below the mean-field Neél temperature. We further demonstrate that the mean-field result can be even more improved introducing a multimode FLF scheme that additionally takes into account subleading fluctuations. Possible applications for the thermodynamics of real molecules are also discussed.
dc.identifier.citationStepanov, E. A. Fluctuating local field approach to free energy of one-dimensional molecules with strong collective electronic fluctuations / Stepanov, E.A., Rubtsov, A.N., Lyakhova, Y.S. // Physical Review B. - 2022. - 105. - № 3. - 10.1103/PhysRevB.105.035118
dc.identifier.doi10.1103/PhysRevB.105.035118
dc.identifier.urihttps://www.doi.org/10.1103/PhysRevB.105.035118
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85123777153&origin=resultslist
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dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/28687
dc.relation.ispartofPhysical Review B
dc.titleFluctuating local field approach to free energy of one-dimensional molecules with strong collective electronic fluctuations
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue3
oaire.citation.volume105
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