Analytically Solving the Relativistic Dirac-Coulomb Equation for Atoms and Molecules

Journal Article · Fri Jul 29 00:00:00 EDT 2005 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.95.050407· OSTI ID:20699245

Nakatsuji, Hiroshi ^[1]; Nakashima, Hiroyuki ^[1]

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1. Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nishikyo-ku, Kyoto 615-8510 (Japan)

A method of solving the Schroedinger equation in an analytically expanded form reported previously is extended to the relativistic case and a general method of exactly solving the Dirac-Coulomb equation has been proposed for atoms and molecules. Some problems characteristic of the relativistic case are discussed. Test applications to the hydrogenlike, heliumlike atoms are satisfactory, implying a high potentiality of the proposed method also for the relativistic case.

• OSTI ID: 20699245
• Journal Information: Physical Review Letters, Vol. 95, Issue 5; Other Information: DOI: 10.1103/PhysRevLett.95.050407; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ATOMS
CATIONS
CORRECTIONS
DIRAC EQUATION
MOLECULAR STRUCTURE
MOLECULES
RELATIVISTIC RANGE
SCHROEDINGER EQUATION