Electronic Structure of the U_2-Center in KCl : III. The Effect of Correlation
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概要
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The magnetic and optical properties of the U_2-center have been theoretically studied. Starting from the many-electron formulation of the problem, its reducibility to one-body problem is discussed. The reducibility is determined by the approximation employed for the many-electron wave function and the physical quantity considered. Numerical calculation is carried out in terms of the wave function with correlation effect as well as with the overlapping effect between orbital wave functions. It has lead to a good result for the hyperfine (hf) constants of the nearest neighbor ions and the g-shift. But it gives an overestimate for some quantities of farther ions. This result is in contrast with that of the approach from the orthogonalization procedure only. Quadrupole interaction constants and the oscillator strength for the optical U_2-band are also calculated.
- 社団法人日本物理学会の論文
- 1967-12-05
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関連論文
- Electronic Structure of the U_2-Center in KCl : III. The Effect of Correlation
- Optical Absorption Line Shapes Due to Transition from Orbital Singlet to Triplet States of Defect Centers with Cubic Symmetry