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Comparison of information-theoretic products and inequalities for the lowest bound and unbound electronic states of H2+ based on exact calculation. / Astashkevich, Sergey A.

в: Physics Letters A, Том 383, № 24, 2019, стр. 2854-2861.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Astashkevich, SA 2019, 'Comparison of information-theoretic products and inequalities for the lowest bound and unbound electronic states of H2+ based on exact calculation', Physics Letters A, Том. 383, № 24, стр. 2854-2861. https://doi.org/10.1016/j.physleta.2019.06.021

APA

Astashkevich, S. A. (2019). Comparison of information-theoretic products and inequalities for the lowest bound and unbound electronic states of H2+ based on exact calculation. Physics Letters A, 383(24), 2854-2861. https://doi.org/10.1016/j.physleta.2019.06.021

Vancouver

Astashkevich SA. Comparison of information-theoretic products and inequalities for the lowest bound and unbound electronic states of H2+ based on exact calculation. Physics Letters A. 2019;383(24):2854-2861. https://doi.org/10.1016/j.physleta.2019.06.021

Author

Astashkevich, Sergey A. / Comparison of information-theoretic products and inequalities for the lowest bound and unbound electronic states of H2+ based on exact calculation. в: Physics Letters A. 2019 ; Том 383, № 24. стр. 2854-2861.

BibTeX

@article{3f2b295f5a4e4458af50671856fb542f,
title = "Comparison of information-theoretic products and inequalities for the lowest bound and unbound electronic states of H2+ based on exact calculation",
abstract = "A study of information-theoretic properties of molecular bond on the example of the ground (bound) and the lowest excited (unbound) states of H was conducted. Data about general information-theoretic measures, information products (Cram{\'e}r-Rao, Fisher-Shannon information, and LMC complexity) and their inequalities in position and momentum spaces as a function of internuclear distance –20 a.u. were obtained by an exact numerical calculation of the wave function. A systematic correlation between these information products was established. It was found that LMC complexity is most sensitive and detailed among these information products. A clear correlation between accuracy of determination of energy and information products in the simplest LCAO model compared to results of the exact calculation was observed.",
keywords = "Shannon information entropy, Fisher information, LMC complexity, Uncertainty relations, Hydrogen molecular ion, Molecular bond, Fisher information, Hydrogen molecular ion, LMC complexity, Molecular bond, Shannon information entropy, Uncertainty relations",
author = "Astashkevich, {Sergey A.}",
year = "2019",
doi = "10.1016/j.physleta.2019.06.021",
language = "English",
volume = "383",
pages = "2854--2861",
journal = "Physics Letters A",
issn = "0375-9601",
publisher = "Elsevier",
number = "24",

}

RIS

TY - JOUR

T1 - Comparison of information-theoretic products and inequalities for the lowest bound and unbound electronic states of H2+ based on exact calculation

AU - Astashkevich, Sergey A.

PY - 2019

Y1 - 2019

N2 - A study of information-theoretic properties of molecular bond on the example of the ground (bound) and the lowest excited (unbound) states of H was conducted. Data about general information-theoretic measures, information products (Cramér-Rao, Fisher-Shannon information, and LMC complexity) and their inequalities in position and momentum spaces as a function of internuclear distance –20 a.u. were obtained by an exact numerical calculation of the wave function. A systematic correlation between these information products was established. It was found that LMC complexity is most sensitive and detailed among these information products. A clear correlation between accuracy of determination of energy and information products in the simplest LCAO model compared to results of the exact calculation was observed.

AB - A study of information-theoretic properties of molecular bond on the example of the ground (bound) and the lowest excited (unbound) states of H was conducted. Data about general information-theoretic measures, information products (Cramér-Rao, Fisher-Shannon information, and LMC complexity) and their inequalities in position and momentum spaces as a function of internuclear distance –20 a.u. were obtained by an exact numerical calculation of the wave function. A systematic correlation between these information products was established. It was found that LMC complexity is most sensitive and detailed among these information products. A clear correlation between accuracy of determination of energy and information products in the simplest LCAO model compared to results of the exact calculation was observed.

KW - Shannon information entropy

KW - Fisher information

KW - LMC complexity

KW - Uncertainty relations

KW - Hydrogen molecular ion

KW - Molecular bond

KW - Fisher information

KW - Hydrogen molecular ion

KW - LMC complexity

KW - Molecular bond

KW - Shannon information entropy

KW - Uncertainty relations

UR - http://www.scopus.com/inward/record.url?scp=85067452145&partnerID=8YFLogxK

U2 - 10.1016/j.physleta.2019.06.021

DO - 10.1016/j.physleta.2019.06.021

M3 - Article

VL - 383

SP - 2854

EP - 2861

JO - Physics Letters A

JF - Physics Letters A

SN - 0375-9601

IS - 24

ER -

ID: 43903305