메뉴 건너뛰기




Volumn 136, Issue 9, 2012, Pages

Outer- and inner-valence satellites of carbon dioxide: Electron momentum spectroscopy compared with symmetry-adapted-cluster configuration interaction general-R calculations

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP METHOD; BASIS SETS; BINDING ENERGY SPECTRA; CONFIGURATION INTERACTIONS; DOUBLE IONIZATION; ELECTRON MOMENTUM SPECTROMETER; ELECTRON MOMENTUM SPECTROSCOPY; HIGH-SENSITIVITY; IMPACT ENERGY; IN-LINE; IONIZATION SPECTRUM; IONIZATION TRANSITIONS; NON-COPLANAR; POLE STRENGTHS; RELATIVE INTENSITY; SATELLITE BANDS; SYMMETRIC GEOMETRY; SYMMETRY ADAPTED CLUSTERS; THEORETICAL CALCULATIONS;

EID: 84863275753     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3691103     Document Type: Article
Times cited : (24)

References (52)
  • 6
    • 0037156120 scopus 로고    scopus 로고
    • Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. II. Azulene, phenanthrene, pyrene, chrysene, triphenylene, and perylene
    • DOI 10.1063/1.1462615
    • M. S. Deleuze, J. Chem. Phys. 116, 7012 (2002). 10.1063/1.1462615 (Pubitemid 34544178)
    • (2002) Journal of Chemical Physics , vol.116 , Issue.16 , pp. 7012-7026
    • Deleuze, M.S.1
  • 7
    • 33748685467 scopus 로고    scopus 로고
    • Study of the molecular structure, ionization spectrum, and electronic wave function of 1,3-butadiene using electron momentum spectroscopy and benchmark Dyson orbital theories
    • DOI 10.1063/1.2209690
    • M. S. Deleuze and S. Knippenberg, J. Chem. Phys. 125, 104309 (2006). 10.1063/1.2209690 (Pubitemid 44396500)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.10 , pp. 104309
    • Deleuze, M.S.1    Knippenberg, S.2
  • 11
    • 13244262498 scopus 로고
    • 10.1088/0953-4075/25/19/002
    • M. J. Brunger and E. Weigold, J. Phys. B 25, 481 (1992). 10.1088/0953-4075/25/19/002
    • (1992) J. Phys. B , vol.25 , pp. 481
    • Brunger, M.J.1    Weigold, E.2
  • 13
    • 34548061181 scopus 로고    scopus 로고
    • Theoretical fine spectroscopy with symmetry-adapted-cluster configuration-interaction method: Outer- and inner-valence ionization spectra of furan, pyrrole, and thiophene
    • DOI 10.1063/1.1929730, 234319
    • M. Ehara, Y. Ohtsuka, H. Nakatsuji, M. Takahashi, and Y. Udagawa, J. Chem. Phys. 122, 234319 (2005). 10.1063/1.1929730 (Pubitemid 41100417)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.23 , pp. 1-10
    • Ehara, M.1    Ohtsuka, Y.2    Nakatsuji, H.3    Takahashi, M.4    Udagawa, Y.5
  • 18
  • 20
    • 33750177761 scopus 로고    scopus 로고
    • High resolution electron momentum spectroscopy of dichlorodifluoromethane: Unambiguous assignments of outer valence molecular orbitals
    • DOI 10.1063/1.2358981
    • X. Shan, X. J. Chen, L. X. Zhou, Z. J. Li, T. Liu, X. X. Xue, and K. Z. Xu, J. Chem. Phys. 125, 154307 (2006). 10.1063/1.2358981 (Pubitemid 44601797)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.15 , pp. 154307
    • Shan, X.1    Chen, X.J.2    Zhou, L.X.3    Li, Z.J.4    Liu, T.5    Xue, X.X.6    Xu, K.Z.7
  • 21
    • 40549083756 scopus 로고    scopus 로고
    • Formulation and implementation of direct algorithm for the symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method
    • DOI 10.1063/1.2832867
    • R. Fukuda and H. Nakatsuji, J. Chem. Phys. 128, 094105 (2008). 10.1063/1.2832867 (Pubitemid 351357784)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.9 , pp. 094105
    • Fukuda, R.1    Nakatsuji, H.2
  • 22
    • 74049135999 scopus 로고    scopus 로고
    • 10.1088/1742-6596/194/1/012006
    • M. Ehara, J. Phys.: Conf. Ser. 194, 012006 (2009). 10.1088/1742-6596/194/ 1/012006
    • (2009) J. Phys.: Conf. Ser. , vol.194 , pp. 012006
    • Ehara, M.1
  • 24
    • 22944471159 scopus 로고    scopus 로고
    • Theoretical fine spectroscopy with symmetry adapted cluster-configuration interaction general-R method: First-row K-shell ionizations and their satellites
    • DOI 10.1063/1.1824899, 014304
    • K. Kuramoto, M. Ehara, and H. Nakatsuji, J. Chem. Phys. 122, 014304 (2005). 10.1063/1.1824899 (Pubitemid 41047763)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.1 , pp. 1-7
    • Kuramoto, K.1    Ehara, M.2    Nakatsuji, H.3
  • 27
    • 0032559105 scopus 로고    scopus 로고
    • 10.1016/S0009-2614(97)01278-5
    • M. Ehara and H. Nakatsuji, Chem. Phys. Lett. 282, 347 (1998). 10.1016/S0009-2614(97)01278-5
    • (1998) Chem. Phys. Lett. , vol.282 , pp. 347
    • Ehara, M.1    Nakatsuji, H.2
  • 33
    • 0342324891 scopus 로고
    • 10.1016/0301-0104(82)88073-7
    • J. P. D. Cook and C. E. Brion, Chem. Phys. 69, 339 (1982). 10.1016/0301-0104(82)88073-7
    • (1982) Chem. Phys. , vol.69 , pp. 339
    • Cook, J.P.D.1    Brion, C.E.2
  • 34
    • 0000070957 scopus 로고
    • 10.1016/0301-0104(85)85088-6
    • K. T. Leung and C. E. Brion, Chem. Phys. 96, 241 (1985). 10.1016/0301-0104(85)85088-6
    • (1985) Chem. Phys. , vol.96 , pp. 241
    • Leung, K.T.1    Brion, C.E.2
  • 36
    • 0001426698 scopus 로고
    • 10.1016/0301-0104(78)80030-5
    • C. E. Brion and K. H. Tan, Chem. Phys. 34, 141 (1978). 10.1016/0301-0104(78)80030-5
    • (1978) Chem. Phys. , vol.34 , pp. 141
    • Brion, C.E.1    Tan, K.H.2
  • 38
    • 0040445113 scopus 로고
    • 6 studied by threshold photoelectrons coincidence (TPEsCO) spectroscopy
    • DOI 10.1016/0301-0104(94)00188-X, Photon-Induced Molecular Dynamics
    • R. I. Hall, L. Avaldi, G. Dawber, A. G. McConkey, M. A. MacDonald, and G. C. King, Chem. Phys. 187, 125 (1994); 10.1016/0301-0104(94)00188-X (Pubitemid 24819109)
    • (1994) Chemical Physics , vol.187 , Issue.1-2 , pp. 125
    • Hall, R.I.1    Avaldi, L.2    Dawber, G.3    McConkey, A.G.4
  • 39
    • 0141961111 scopus 로고    scopus 로고
    • 10.1016/j.chemphys.2003.08.001
    • J. H. D. Eland, Chem. Phys. 294, 171 (2003); 10.1016/j.chemphys.2003.08. 001
    • (2003) Chem. Phys. , vol.294 , pp. 171
    • Eland, J.H.D.1
  • 46
    • 0000223680 scopus 로고
    • 10.1016/0009-2614(91)85040-4
    • H. Nakatsuji, Chem. Phys. Lett. 177, 331 (1991). 10.1016/0009-2614(91) 85040-4
    • (1991) Chem. Phys. Lett. , vol.177 , pp. 331
    • Nakatsuji, H.1
  • 47
    • 0001557355 scopus 로고
    • 10.1063/1.449485
    • H. Nakatsuji, J. Chem. Phys. 83, 713 (1985). 10.1063/1.449485
    • (1985) J. Chem. Phys. , vol.83 , pp. 713
    • Nakatsuji, H.1
  • 48
    • 0000454703 scopus 로고
    • 10.1063/1.449650
    • H. Nakatsuji, J. Chem. Phys. 83, 5743 (1985). 10.1063/1.449650
    • (1985) J. Chem. Phys. , vol.83 , pp. 5743
    • Nakatsuji, H.1
  • 49
    • 0000809754 scopus 로고
    • 10.1063/1.460248
    • H. Nakatsuji, J. Chem. Phys. 94, 6716 (1991). 10.1063/1.460248
    • (1991) J. Chem. Phys. , vol.94 , pp. 6716
    • Nakatsuji, H.1
  • 50
    • 0000108747 scopus 로고    scopus 로고
    • Analytical energy gradients of the excited, ionized and electron-attached states calculated by the SAC-CI general- R method
    • DOI 10.1016/S0009-2614(01)00995-2, PII S0009261401009952
    • M. Ishida, K. Toyota, M. Ehara, and H. Nakatsuji, Chem. Phys. Lett. 347, 493 (2001). 10.1016/S0009-2614(01)00995-2 (Pubitemid 33628549)
    • (2001) Chemical Physics Letters , vol.347 , Issue.4-6 , pp. 493-498
    • Ishida, M.1    Toyota, K.2    Ehara, M.3    Nakatsuji, H.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.