Size consistent multireference single and double excitation configuration interaction calculations. The multireference coupled electron-pair approximation

P.J.A. Ruttink, J.H. Lenthe, van, R. Zwaans, G.C. Groenenboom

Research output: Contribution to journalArticleAcademicpeer-review

55 Citations (Scopus)
95 Downloads (Pure)

Abstract

A new size-consistent extension to the multireference CI method is described. The method termed multireference CEPA (MRCEPA) is akin to a multireference CEPA(0) approach, though nonlinear terms do receive sep. attention. We show the performance of the approach in some model systems, as well as in an application to calcn. of ground and excited pp* states of ethylene. [on SciFinder (R)]
Original languageEnglish
Pages (from-to)7212-7220
JournalJournal of Chemical Physics
Volume94
Issue number11
DOIs
Publication statusPublished - 1991

Fingerprint

Dive into the research topics of 'Size consistent multireference single and double excitation configuration interaction calculations. The multireference coupled electron-pair approximation'. Together they form a unique fingerprint.

Cite this