Multicenter Molecular Integrals over Dirac Wave Functions for Several Fundamental Properties

Kazuhiro Ishida

doi:10.61927/igmin286

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Constantin Fetecau and Costică Moroşanu

General-science Group Review Article Article ID: igmin286

Multicenter Molecular Integrals over Dirac Wave Functions for Several Fundamental Properties

Chemistry DOI10.61927/igmin286

Kazuhiro Ishida ^*

Affiliation

219-48 Matsugasaki, Kashiwa City, Chiba 277-0835, Japan

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Abstract

Multicenter molecular integrals over Dirac wave functions can be derived by using the Gaussian-transform for the Dirac wave function, which was derived by the author, for several fundamental properties; i.e., the overlap integral, the kinetic energy one, the nuclear attraction one for the point-like nucleus and for the finite one, and the electron-repulsion integral.

References

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