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Inverse Hamiltonian method assisted by the complex scaling technique for solving the Dirac-Coulomb equation: Helium isoelectronic atoms

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Abstract The free complement (FC) theory, proposed for solving the Schrodinger equations of atoms and molecules, was previously extended to solving the relativistic Dirac-Coulomb equations (DCE) [H. Nakatsuji and H.… Click to show full abstract

Abstract The free complement (FC) theory, proposed for solving the Schrodinger equations of atoms and molecules, was previously extended to solving the relativistic Dirac-Coulomb equations (DCE) [H. Nakatsuji and H. Nakashima, Phys. Rev. Lett. 95, 050,407 (2005).]. In this letter, the inverse Hamiltonian method assisted by the complex scaling technique is further introduced to solve two problems associated with the many-electron DCE, the unbound problem of the Dirac-Coulomb Hamiltonian and the continuum dissolution problem. The proposed accurate FC theory is applied to the calculations of the ground and low-lying excited states of helium isoelectronic atoms: He, Th88+, and Nh111+.

Keywords: assisted complex; hamiltonian method; method assisted; dirac coulomb; inverse hamiltonian; coulomb

Journal Title: Chemical Physics Letters
Year Published: 2020

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