메뉴 건너뛰기




Volumn 58, Issue 1, 1998, Pages 744-747

Thermal isomerization in [Formula Presented]

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0003172630     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.58.744     Document Type: Article
Times cited : (7)

References (30)
  • 1
    • 85037252420 scopus 로고    scopus 로고
    • Small Particles and Inorganic Clusters, edited by R. S. Berry, J. Burdett, and A. W. Castleman, Jr., special issue of Z. Phys. D 26 (1993
    • Small Particles and Inorganic Clusters, edited by R. S. Berry, J. Burdett, and A. W. Castleman, Jr., special issue of Z. Phys. D 26 (1993).
  • 17
    • 0002198868 scopus 로고    scopus 로고
    • JCPSA6
    • For recent tests of the density functional theory for describing affinities, see G. S. Tschumper and H. F. Schaefer III, J. Chem. Phys. 107, 2529 (1997).JCPSA6
    • (1997) J. Chem. Phys. , vol.107 , pp. 2529
    • Tschumper, G.S.1    Schaefer, H.F.2
  • 24
    • 85037212054 scopus 로고    scopus 로고
    • D. V. Porezag, Ph.D. thesis, Technische Universität Chemnitz-Zwickau, 1997; basis sets are available at http://archiv.tu-chemnitz.de/pub/1997/0025
    • D. V. Porezag, Ph.D. thesis, Technische Universität Chemnitz-Zwickau, 1997;basis sets are available at http://archiv.tu-chemnitz.de/pub/1997/0025.
  • 28
    • 25544474582 scopus 로고
    • PLRBAQ
    • Many calculations have shown that accurate localized excitation energies can be determined by using density functional theory (DFT) to determine energy differences between self-consistent ground and excited states. For validation of the use of DFT for the lowest excited state of each symmetry, see O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976).PLRBAQ
    • (1976) Phys. Rev. B , vol.13 , pp. 4274
    • Gunnarsson, O.1    Lundqvist, B.I.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.