LIFETIMES OF ELECTRONICALLY METASTABLE DOUBLE-RYDBERG ANIONS - FH2-

被引:12
作者
GUTOWSKI, M [1 ]
SIMONS, J [1 ]
机构
[1] UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
关键词
D O I
10.1063/1.458893
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The method of analytic continuation of real stabilization graphs was applied to calculate positions and widths of electronic resonances of the FH2- double-Rydberg anion at the experimental geometry of the parent FH2+ cation. In correlated calculations on FH2-, a full configuration interaction calculation was performed on the two outermost electrons; the remaining electrons occupied orbitals taken from the SCF-level treatment of the FH2+ core. All spatial symmetries and both singlet and triplet spin multiplicities were considered. Many Feshbach and core-excited shape resonances were found with lifetimes in the range (1 to 80) X 10-14 s. Different methods of fitting the coefficients of the characteristic polynomial used in the stabilization calculations were considered. Techniques to suppress incomplete basis set artifacts in the stabilization calculations were examined. © 1990 American Institute of Physics.
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页码:2546 / 2553
页数:8
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