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High Resolution X-ray Diffraction Studies of the Natural Minerals of Gas Hydrates and Occurrence of Mixed Phases
M Yousuf and SB Qadri
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Technical & Economic Feasibility Study of Proposed Pump Storage Power Plants at Kuda Oya, Mul Oya, Gurugal Oya, and Dambagasthalawa
T Pirathapan, RCW Ponnamperuma, PMCPB Polgasdeniya and Tharanga Wickramarathna
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General-science Group Research Article Article ID: igmin266

Gaussian-Transform for the Dirac Wave Function and its Application to the Multicenter Molecular Integral Over Dirac Wave Functions for Solving the Molecular Matrix Dirac Equation

Physics MathematicsBiophysics DOI10.61927/igmin266
Kazuhiro Ishida *
Affiliation

Affiliation

    Kazuhiro Ishida, 219-48 Matsugasaki, Kashiwa City, Chiba 277-0835, Japan, Email: [email protected]

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Abstract

Gaussian-transform formula is derived for the Dirac wave function. Using it, one can derive the multicenter molecular integral over Dirac wave functions for any physical quantity. As the first application of it, multicenter molecular integrals over Dirac wave functions are derived for the homogeneous charge density distribution model and the Gauss-type charge density distribution model. Such integrals are necessary for solving the gauge-invariant molecular matrix Dirac equation with using the restricted magnetic balance.

References

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    9. Ishida K. A reason why to use the Gaussian-type-orbital is not suitable for the relativistic calculation of the nuclear-magnetic-resonance spectra with using the restricted magnetic balance, Comput Theor Chem 2024;1241:114804
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Research Articles
  1. Gaussian-Transform for the Dirac Wave Function and its Application to the Multicenter Molecular Integral Over Dirac Wave Functions for Solving the Molecular Matrix Dirac Equation
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