Second-order correlation correction to the coupled Hartree-Fock polarizability of Be

✍ Scribed by Ludwik Adamoqicz; Andrzej J. Sadlej

• Publisher: Elsevier Science
• Year: 1978
• Tongue: English
• Weight: 507 KB
• Volume: 53
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(78)85420-7

✦ Synopsis

The second-order correlation correction to the coupled Hartree-Fock perturbed energies is defined as the f&.t nonvanishing contribution due to perturbation-dependent correlation potential. This correction in fact includes some of higberorder correlation diagrams which appear due to perturbation-induced modification of the Hartree-Fock potential and should be superior to the ordinary second-order correlation contribution as defined in many-body perturbation theory. The calculations of the second-order correlation correction to the CHF polarizability of Be using the so-called electric-field-variant orbit& and gaussian geminals confum this conclusion. The computed correction accounts for the major portion of the correlation effects for the beryllium atom polar&ability.