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Volumn 105, Issue 29, 2001, Pages 7057-7071

Excited-state molecular dynamics simulations of conjugated oligomers using the electronic density matrix

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRON TRANSITIONS; GROUND STATE; MOLECULAR DYNAMICS; POLYACETYLENES; RAMAN SPECTROSCOPY;

EID: 0035954995     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010275g     Document Type: Article
Times cited : (7)

References (50)
  • 10
    • 0004033370 scopus 로고
    • Szymanski, H., Ed.; Plenum: New York
    • Tang, J.; Albrecht, A. C. In Raman Spectroscopy, Szymanski, H., Ed.; Plenum: New York, 1970; Vol. 2.
    • (1970) Raman Spectroscopy , vol.2
    • Tang, J.1    Albrecht, A.C.2
  • 32
    • 33750969741 scopus 로고
    • Ph D. Thesis, Rice University, Houston, Texas
    • (b) Lehoucq, R. B. Ph D. Thesis, Rice University, Houston, Texas, 1995.
    • (1995)
    • Lehoucq, R.B.1
  • 33
    • 0041077363 scopus 로고
    • Dept. of Computational and Applied Mathematics, Rice University: Houston, Texas
    • Technical Report TR95-13; Dept. of Computational and Applied Mathematics, Rice University: Houston, Texas, 1995.
    • (1995) Technical Report TR95-13
  • 34
    • 84947907745 scopus 로고    scopus 로고
    • P_ARPACK: An Efficient Portable Large Scale Eigenvalue Package for Distributed Memory Parallel Architectures
    • Applied Parallel Computing in Industrial Problems and Optimization; Wasniewski, J., Dongarra, J., Madsen, K., Olesen, D., Eds.; Springer-Verlag: Berlin
    • (c) Maschhoff, K. J.; Sorensen, D. C. P_ARPACK: An Efficient Portable Large Scale Eigenvalue Package for Distributed Memory Parallel Architectures. In Applied Parallel Computing in Industrial Problems and Optimization; Wasniewski, J., Dongarra, J., Madsen, K., Olesen, D., Eds.; Lecture Notes in Computer Science; Springer-Verlag: Berlin, 1996; Vol. 1184.
    • (1996) Lecture Notes in Computer Science , vol.1184
    • Maschhoff, K.J.1    Sorensen, D.C.2
  • 42
    • 0000474420 scopus 로고
    • Semiempirical Molecular Orbital Methods
    • Libkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, Chapter 8
    • Zerner, M. C. Semiempirical Molecular Orbital Methods. In Reviews in Computational Chemistry II; Libkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1991; Chapter 8, p 313.
    • (1991) Reviews in Computational Chemistry II , pp. 313
    • Zerner, M.C.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.