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On calculating molecular magnetic properties by the Hartree-Fock method

✍ Scribed by Yu. B. Vysotskii

Publisher
SP MAIK Nauka/Interperiodica
Year
1972
Tongue
English
Weight
576 KB
Volume
13
Category
Article
ISSN
0022-4766

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Generator coordinate Hartree-Fock calculations were performed for the fourteen-electron diatomic molecules Nz, CO and BF. The ground state HF energy and multipole electric moments were calculated. The Grifftn-Wheeler HF equations were solved by discretization with the aid of the HONDO program. The G