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Volumn 108, Issue 23, 1998, Pages 9624-9631

Optimized density functionals from the extended G2 test set

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[No Author keywords available]

Indexed keywords


EID: 0000704744     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476438     Document Type: Article
Times cited : (696)

References (24)
  • 9
    • 5544295200 scopus 로고
    • E. I. Proynov, A. Vela, and D. R. Salahub, Chem. Phys. Lett. 230, 419 (1995); 234, 462(E) (1995).
    • (1995) Chem. Phys. Lett. , vol.234
  • 15
    • 85034280948 scopus 로고    scopus 로고
    • note
    • Unlike in previous work, we included electron affinities in the fits, although negative ions are (in principle) not stable within the LSDA. We deemed this justified, since in our actual calculations, the anions are described adequately, and a check showed that our fits do not change significantly on omission of EAs.
  • 21
    • 85034298818 scopus 로고    scopus 로고
    • note
    • 2 molecule in the original set. This is consistent with previous work by us and other authors.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.