Integral evaluation in the case of a helium atom positioned off-center in a spherical box

✍ Scribed by Peter G. Whitkop

• Publisher: John Wiley and Sons
• Year: 1999
• Tongue: English
• Weight: 182 KB
• Volume: 73
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1999)73:6<459::aid-qua1>3.0.co;2-i

✦ Synopsis

A variational approach to the problem of multielectron atoms placed off-center in a spherical box leads to the difficult evaluation of electron repulsion integrals in an environment where spherical symmetry is no longer present. A technique for the evaluation of the electron repulsion integrals generated by this situation is developed and tested for the case of a helium atom placed off-center in a spherical box.