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Core-projection effects in near ab initio valence calculations of the electronic ground state of the octahedral CrF4−6

✍ Scribed by L. Seijo; Z. Barandiarán; V. Luaña; L. Pueyo


Book ID
103246441
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
635 KB
Volume
61
Category
Article
ISSN
0022-4596

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Ab initio calculations of the properties
✍ M. Fehér; P.A. Martin 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 428 KB

The potential energy curves, dipole, quadrupole, octopole and hexadecapole moment functions of the ground X 'Z+ state of NO+ have been calculated at Hartree-Fock, CASSCF, MR-CI and MP2 levels using a [ Ss6p3d] basis set In addition, dipole polansablhtles have also been calculated at the HF and MP2 l