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Volumn 139, Issue 15, 2013, Pages

State-averaged Monte Carlo configuration interaction applied to electronically excited states

Author keywords

[No Author keywords available]

Indexed keywords

AVOIDED CROSSINGS; CONFIGURATION INTERACTIONS; CONICAL INTERSECTION; ELECTRONICALLY EXCITED STATE; FULL CONFIGURATION INTERACTION; OSCILLATOR STRENGTHS; SMALL ORGANIC MOLECULES; VERTICAL EXCITATION;

EID: 84903362529     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4824888     Document Type: Article
Times cited : (36)

References (31)
  • 1
    • 0039449877 scopus 로고    scopus 로고
    • 10.1006/jcph.1998.5953
    • J. C. Greer, J. Comp. Phys. 146, 181 (1998). 10.1006/jcph.1998.5953
    • (1998) J. Comp. Phys. , vol.146 , pp. 181
    • Greer, J.C.1
  • 9
    • 74049144161 scopus 로고    scopus 로고
    • 10.1016/j.cplett.2009.12.047
    • Y. Ohtsuka and S. Nagase, Chem. Phys. Lett. 485, 367 (2010). 10.1016/j.cplett.2009.12.047
    • (2010) Chem. Phys. Lett. , vol.485 , pp. 367
    • Ohtsuka, Y.1    Nagase, S.2
  • 11
    • 84877296340 scopus 로고    scopus 로고
    • 10.1063/1.4802766
    • S. Ten-no, J. Chem. Phys. 138, 164126 (2013). 10.1063/1.4802766
    • (2013) J. Chem. Phys. , vol.138 , pp. 164126
    • Ten-No, S.1
  • 13
    • 84903364722 scopus 로고    scopus 로고
    • MOLPRO, version 2010.1, a package of ab initio programs, see
    • H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. Schütz, MOLPRO, version 2010.1, a package of ab initio programs, 2010, see http://www.molpro.net.
    • (2010)
    • Werner, H.-J.1    Knowles, P.J.2    Knizia, G.3    Manby, F.R.4    Schütz, M.5
  • 18
    • 24544432103 scopus 로고
    • 10.1103/PhysRev.97.1474
    • P.-O. Löwdin, Phys. Rev. 97, 1474 (1955). 10.1103/PhysRev.97.1474
    • (1955) Phys. Rev. , vol.97 , pp. 1474
    • Löwdin, P.-O.1
  • 22
    • 70349624940 scopus 로고    scopus 로고
    • 10.1063/1.3237028
    • A. J. C. Varandas, J. Chem. Phys. 131, 124128 (2009). 10.1063/1.3237028
    • (2009) J. Chem. Phys. , vol.131 , pp. 124128
    • Varandas, A.J.C.1
  • 23
    • 0000462365 scopus 로고
    • 10.1063/1.469756
    • J. C. Greer, J. Chem. Phys. 103, 1821 (1995). 10.1063/1.469756
    • (1995) J. Chem. Phys. , vol.103 , pp. 1821
    • Greer, J.C.1
  • 25
    • 0000266721 scopus 로고    scopus 로고
    • 10.1063/1.471020
    • D. R. Yarkony, J. Chem. Phys. 104, 2932 (1996). 10.1063/1.471020
    • (1996) J. Chem. Phys. , vol.104 , pp. 2932
    • Yarkony, D.R.1
  • 28
    • 0000636141 scopus 로고    scopus 로고
    • 10.1002/ (SICI) 1097-461X (1998) 66:2<157::A ID-QUA7>3.0.CO;2-U
    • K. Nakayama, H. Nakano, and K. Hirao, Int. J. Quantum Chem. 66, 157 (1998). 10.1002/(SICI)1097-461X(1998)66:2<157::AID-QUA7>3.0.CO;2-U
    • (1998) Int. J. Quantum Chem. , vol.66 , pp. 157
    • Nakayama, K.1    Nakano, H.2    Hirao, K.3
  • 29
    • 0000731073 scopus 로고
    • 10.1063/1.460537
    • R. J. Harrison, J. Chem. Phys. 94, 5021 (1991). 10.1063/1.460537
    • (1991) J. Chem. Phys. , vol.94 , pp. 5021
    • Harrison, R.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.