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Quadrupole moment of the hydrogen fluoride using the multireference Hartree–Fock CI method

✍ Scribed by Luiz A. C. Malbouisson; Micael D. de Andrade; Antonio M. de C. Sobrinho

Book ID
112185798
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
99 KB
Volume
112
Category
Article
ISSN
0020-7608

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✍ Dage Sundholm; Jeppe Olsen 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 482 KB

The atomic quadrupole moment, Qzz of Ca( 3d4s; 'D) has been obtained from finite element multiconfiguration Hartree-Fock calculations. The Hartree-Fock, the valence correlation, the core-valence correlation, and the core-core correlation values for Qzz are 2.721, 5.583,2.243, and 4.164 au, respectiv