Title of article
On the calculation of molecular field splitting in S 2p photoelectron spectra
Author/Authors
Bّrve، نويسنده , , Knut J.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1996
Pages
6
From page
801
To page
806
Abstract
The quantum chemical description of molecular-field-induced splitting in the S 2p32 core level in H2S is examined with respect to atomic basis sets and inclusion of electron correlation. The results allow a computational procedure to be formulated, which, when applied to H2S, SO2, OCS and CS2, gives excellent agreement with experiment.
Journal title
Chemical Physics Letters
Serial Year
1996
Journal title
Chemical Physics Letters
Record number
1771825
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