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Effect of configuration interaction on calculated polarized UV-VIS absorption spectra: A molecular dynamics based study

Klintenberg, M (author)
Uppsala universitet
Thomas, JO (author)
Uppsala universitet
 (creator_code:org_t)
AMER INST PHYSICS, 1997
1997
English.
In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 56:20, s. 13006-13011
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  • Inclusion of configuration interaction through the use of second-order perturbation theory in the calculation of the 364x364 energy matrix for Nd3+ in Nd3+:YAG and Nd3+:LiYF4 is shown to improve agreement with experimentally observed polarized W-VIS absor

Keyword

CRYSTAL FIELDS; TRANSITIONS; SIMULATION; LIYF4; GLASS; IONS

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Thomas, JO
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