Compact variational wave functions for bound states in three-electron atomic systems

作者: A. M. Frolov , D. M. Wardlaw

DOI: 10.1134/S1063776109040049

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摘要: The variational procedure to construct compact and accurate wave functions for three-electron atoms ions is developed. based on the use of six-dimensional Gaussoids written in relative four-body coordinates r12, r13, r23, r14, r24, r34. nonlinear parameters each basis function have been carefully optimized. Using these functions, we determined energies other bound state properties ground 12S-states a number ions. atomic systems considered this work include neutral Li atom nine positively charged lithiumlike ions: Be+, B2+, C3+, ..., Na8+, Mg9+. Our are used determine hyperfine structure splitting field shifts some lithium-like explicit formulas Q−1 expansion derived total systems.

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