DOI: 10.1063/1.1697193. Transposition of the Theories Describing Superconducting Systems to Molecular Systems. Method of Biorbitals

Transposition of the Theories Describing Superconducting Systems to Molecular Systems. Method of Biorbitals

10.1063/1.1697193

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A new theory of the electronic structure of molecules is proposed, based on a wavefunction of the following type: φSCF−BI=NAψ(1,2)ψ(3,4)···ψ(2N···1,2N).This wavefunction is called the self-consistent-field biorbital wavefunction, and the factors ψ(i, j) are called biorbitals. This function is discussed, the corresponding energy expression is derived, and the variational equations leading to the best possible φSCF–BI are presented. This theory is the molecular version of Blatt's theory of superconducting systems.

Bibliography

BratoÅ¾, S., & Durand, Ph. (1965). Transposition of the Theories Describing Superconducting Systems to Molecular Systems. Method of Biorbitals. The Journal of Chemical Physics, 43(8), 2670â2679.

Authors 2

S. Bratož (first)
Ph. Durand (additional)

References 53 Referenced 78

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Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 3:01 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 7:05 p.m.)
Indexed	1 week, 1 day ago (Aug. 20, 2025, 9:19 a.m.)
Issued	59 years, 10 months ago (Oct. 15, 1965)
Published	59 years, 10 months ago (Oct. 15, 1965)
Published Print	59 years, 10 months ago (Oct. 15, 1965)

Funders 0

None

BibTeX

@article{Brato__1965, title={Transposition of the Theories Describing Superconducting Systems to Molecular Systems. Method of Biorbitals}, volume={43}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1697193}, DOI={10.1063/1.1697193}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bratož, S. and Durand, Ph.}, year={1965}, month=oct, pages={2670–2679} }

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    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1965,
        10,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1965,
        10,
        15
      ]
    ]
  }
}