Potential energy curves for the Zn2 dimer

✍ Scribed by E. Czuchaj; F. Rebentrost; H. Stoll; H. Preuss

• Publisher: Elsevier Science
• Year: 1996
• Tongue: English
• Weight: 496 KB
• Volume: 255
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(96)00336-3

✦ Synopsis

MRCI(SD) calculations have been performed for the adiabatic potential curves and dipole transition moments of diatomic zinc. Only the four valence electrons of the system are treated explicitly, whereas the atomic cores are replaced by the energy-adjusted pseudopotentials. The spin-orbit coupling has not been considered.