On the performance of diagrammatic complete active space perturbation theory

Yoong Kee Choe, James P. Finley, Haruyuki Nakano, Kimihiko Hirao

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The accuracy of the second-order diagrammatic complete active space perturbation was analyzed for the excited states of C2, H2O, CO and formamide. The study also probed the differences of the system with the ab initio and full configuration interaction (FCI) techniques along with the relative excitation energies.

Original languageEnglish
Pages (from-to)7773-7778
Number of pages6
JournalJournal of Chemical Physics
Volume113
Issue number18
DOIs
Publication statusPublished - Nov 8 2000
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'On the performance of diagrammatic complete active space perturbation theory'. Together they form a unique fingerprint.

  • Cite this