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Ionization potential and electron affinity of the Au atom and the AuH molecule by all-electron relativistic configuration interaction and propagator techniques

✍ Scribed by Pizlo, Artur; Jansen, Georg; Heß, Bernd Artur; von Niessen, Wolfgang


Book ID
127357188
Publisher
American Institute of Physics
Year
1993
Tongue
English
Weight
794 KB
Volume
98
Category
Article
ISSN
0021-9606

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Ionization potential and electron affini
✍ Pizlo, Artur; Jansen, Georg; Heß, Bernd Artur; von Niessen, Wolfgang 📂 Article 📅 1993 🏛 American Institute of Physics 🌐 English ⚖ 794 KB

We present the results of all-electron relativistic and nonrelativistic ab initio calculations on ionization potentials, electron affinities, and excitation energies for the gold atom and the gold hydride molecule. Values obtained from selecting multireference configuration interaction (CI) methods,