Relativistic molecular wavefunctions: XeF2

✍ Scribed by A. Rosén; D.E. Ellis

• Book ID: 103012186
• Publisher: Elsevier Science
• Year: 1974
• Tongue: English
• Weight: 481 KB
• Volume: 27
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(74)80314-3

✦ Synopsis

A new method is presented to calculate binding energies and eigenfunctions for molecules, using the relativistic Dirac hamiltonian. A numerical basis zt of four component wavefunctions is obtained from atom-like Dirac-Slater wavefunctions. A discrete variational method has been developed and applied to the linear XeF2 molecule.