Applications of the MBPT in the localized representation the behaviour of the localization terms

E. Kapuy, Zoltán Csépes, Ferencz Bartha, Ferencz Bogár, C. Kozmutza

Collection of Czechoslovak Chemical Communications · 1988 · 11 citations · 0 references

Concepts

Abstract

The behaviour of the localization corrections of the MBPT is investigated. It is shown that calculating the third and fourth order localization corrections we obtain sufficiently accurate results to the second order correlation energy both for cyclic polyenes and for saturated hydrocarbons. The evaluation of the localization diagrams does not require significant extra computer time. The extra computer time can be recovered if small non-local effects will be neglected.