메뉴 건너뛰기




Volumn 134, Issue 23, 2011, Pages

First principles study of the ground and excited states of FeO, FeO +, and FeO-

Author keywords

[No Author keywords available]

Indexed keywords

4-STATE; BASIS SETS; FIRST-PRINCIPLES STUDY; HIGHLY-CORRELATED; MULTI REFERENCE; POTENTIAL ENERGY CURVES; SPECTROSCOPIC PARAMETERS;

EID: 79959689035     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3598529     Document Type: Article
Times cited : (66)

References (84)
  • 3
    • 0001306548 scopus 로고    scopus 로고
    • references therein. 10.1021/cr980411m
    • J. F. Harrison, Chem. Rev. 100, 679 (2000), and references therein. 10.1021/cr980411m
    • (2000) Chem. Rev. , vol.100 , pp. 679
    • Harrison, J.F.1
  • 4
    • 79959770681 scopus 로고    scopus 로고
    • NIST ASD Team (2010). NIST Atomic Spectra Database (version 4.0) (National Institute of Standards and Technology, Gaithersburg, MD), online available at: accessed December 17, 2010
    • Y. Ralchenko, A. E. Kramida, J. Reader, and NIST ASD Team (2010). NIST Atomic Spectra Database (version 4.0) (National Institute of Standards and Technology, Gaithersburg, MD), online available at: http://physics.nist.gov/asd accessed December 17, 2010.
    • Ralchenko, Y.1    Kramida, A.E.2    Reader, J.3
  • 5
    • 0000303610 scopus 로고
    • 10.1038/156570a0
    • B. Rosen, Nature (London) 156, 570 (1945). 10.1038/156570a0
    • (1945) Nature (London) , vol.156 , pp. 570
    • Rosen, B.1
  • 10
    • 0000480618 scopus 로고
    • 10.1016/0009-2614(75)85291-2
    • D. L. Hildenbrand, Chem. Phys. Lett. 34, 352 (1975). 10.1016/0009- 2614(75)85291-2
    • (1975) Chem. Phys. Lett. , vol.34 , pp. 352
    • Hildenbrand, D.L.1
  • 15
    • 36749104665 scopus 로고
    • 10.1063/1.440255
    • E. Murad, J. Chem. Phys. 73, 1381 (1980). 10.1063/1.440255
    • (1980) J. Chem. Phys. , vol.73 , pp. 1381
    • Murad, E.1
  • 22
    • 0000583651 scopus 로고
    • 10.1146/annurev.pc.40.100189.002203
    • A. J. Merer, Annu. Rev. Phys. Chem. 40, 407 (1989). 10.1146/annurev.pc. 40.100189.002203
    • (1989) Annu. Rev. Phys. Chem. , vol.40 , pp. 407
    • Merer, A.J.1
  • 23
  • 29
    • 22944438741 scopus 로고    scopus 로고
    • The permanent electric dipole moments of iron monoxide, FeO
    • DOI 10.1063/1.1822923
    • T. C. Steimle, J. Gengler, and P. J. Hodges, J. Chem. Phys. 121, 12303 (2004). 10.1063/1.1822923 (Pubitemid 41041587)
    • (2004) Journal of Chemical Physics , vol.121 , Issue.24 , pp. 12303-12307
    • Steimle, T.C.1    Gengler, J.2    Hodges, P.J.3
  • 31
    • 25444528459 scopus 로고    scopus 로고
    • Direct determination of the ionization energies of FeO and CuO with VUV radiation
    • DOI 10.1063/1.2032947, 114313
    • R. B. Metz, C. Nicolas, M. Ahmed, and S. R. Leone, J. Chem. Phys. 123, 114313 (2005). 10.1063/1.2032947 (Pubitemid 41377070)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.11 , pp. 1-6
    • Metz, R.B.1    Nicolas, C.2    Ahmed, M.3    Leone, S.R.4
  • 45
    • 40549111675 scopus 로고    scopus 로고
    • Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study
    • DOI 10.1063/1.2831583
    • E. L. Uzunova, H. Mikosch, and G. S. Nikolov, J. Chem. Phys. 128, 094307 (2008). 10.1063/1.2831583 (Pubitemid 351357791)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.9 , pp. 094307
    • Uzunova, E.L.1    Mikosch, H.2    Nikolov, G.St.3
  • 54
    • 0035826562 scopus 로고    scopus 로고
    • Theoretical study of first-row transition metal oxide cations
    • DOI 10.1063/1.1362323
    • Y. Nakao, K. Hirao, and T. Taketsugu, J. Chem. Phys. 114, 7935 (2001). 10.1063/1.1362323 (Pubitemid 32486708)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.18 , pp. 7935-7940
    • Nakao, Y.1    Hirao, K.2    Taketsugu, T.3
  • 56
    • 6344235244 scopus 로고
    • 10.1016/0009-2614(92)85354-D
    • K. Hirao, Chem. Phys. Lett. 190, 374 (1992); 10.1016/0009-2614(92)85354-D
    • (1992) Chem. Phys. Lett. , vol.190 , pp. 374
    • Hirao, K.1
  • 57
    • 5244301246 scopus 로고
    • 10.1016/0009-2614(92)85710-R
    • K. Hirao, Chem. Phys. Lett. 196, 397 (1992); 10.1016/0009-2614(92)85710-R
    • (1992) Chem. Phys. Lett. , vol.196 , pp. 397
    • Hirao, K.1
  • 58
    • 43949171651 scopus 로고
    • 10.1016/0009-2614(93)85034-L
    • K. Hirao, Chem. Phys. Lett. 201, 59 (1993). 10.1016/0009-2614(93)85034-L
    • (1993) Chem. Phys. Lett. , vol.201 , pp. 59
    • Hirao, K.1
  • 61
  • 62
    • 24144464461 scopus 로고    scopus 로고
    • Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn
    • DOI 10.1063/1.1998907, 064107
    • N. B. Balabanov and K. A. Peterson, J. Chem. Phys. 123, 064107 (2005). 10.1063/1.1998907 (Pubitemid 41235438)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.6 , pp. 1-15
    • Balabanov, N.B.1    Peterson, K.A.2
  • 70
    • 36148931496 scopus 로고
    • 10.1016/0003-4916(74)90333-9
    • M. Douglas and N. M. Kroll, Ann. Phys. 82, 89 (1974). 10.1016/0003-4916(74)90333-9
    • (1974) Ann. Phys. , vol.82 , pp. 89
    • Douglas, M.1    Kroll, N.M.2
  • 73
    • 7544226593 scopus 로고
    • 10.1016/0009-2614(69)80118-1
    • H. B. Jansen and P. Ross, Chem. Phys. Lett. 3, 140 (1969); 10.1016/0009-2614(69)80118-1
    • (1969) Chem. Phys. Lett. , vol.3 , pp. 140
    • Jansen, H.B.1    Ross, P.2
  • 74
    • 84890021933 scopus 로고
    • 10.1080/00268977000101561
    • S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970). 10.1080/00268977000101561
    • (1970) Mol. Phys. , vol.19 , pp. 553
    • Boys, S.F.1    Bernardi, F.2
  • 84
    • 79959760790 scopus 로고    scopus 로고
    • - respectively.
    • - respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.