메뉴 건너뛰기




Volumn 111, Issue 10, 2007, Pages 2546-2553

Calculation of the microscopic and macroscopic linear and nonlinear optical properties of liquid acetonitrile. II. Local fields and linear and nonlinear susceptibilities in quadrupolar approximation

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; COULOMB INTERACTIONS; DIELECTRIC PROPERTIES; ELECTRIC FIELD EFFECTS; MOLECULAR DYNAMICS; REFRACTIVE INDEX;

EID: 34147118201     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp066630q     Document Type: Article
Times cited : (16)

References (59)
  • 6
    • 0003545308 scopus 로고
    • Introduction to Nonlinear Optical Effects
    • Wiley: New York
    • Prasad, P. N.; Williams, D. J. Introduction to Nonlinear Optical Effects. Molecules and Polymers; Wiley: New York, 1991.
    • (1991) Molecules and Polymers
    • Prasad, P.N.1    Williams, D.J.2
  • 12
    • 84906406559 scopus 로고    scopus 로고
    • Kaatz, P.; Shelton, D. P. Phys. Rev. Lett. 2000, 82, 1224. Shelton, D. P. Chem. Phys. Lett. 2000, 325, 513.
    • Kaatz, P.; Shelton, D. P. Phys. Rev. Lett. 2000, 82, 1224. Shelton, D. P. Chem. Phys. Lett. 2000, 325, 513.
  • 20
    • 84906391959 scopus 로고
    • 1986, 34, 2499.
    • (1986) , vol.2499 , Issue.34
  • 21
  • 25
    • 26844478577 scopus 로고    scopus 로고
    • CCLRC, Daresbury Laboratory: Daresbury, Warrington, U.K
    • Smith, W.; Leslie, M.; Forrester, T. R. DL_POLY 2.14; CCLRC, Daresbury Laboratory: Daresbury, Warrington, U.K., 2003.
    • (2003) DL_POLY 2.14
    • Smith, W.1    Leslie, M.2    Forrester, T.R.3
  • 31
    • 84906406560 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Zakrzewski, V. G, Montgomery, J. A, Jr, Stratmann, R. E, Burant, J. C, Dapprich, S, Millam, J. M, Daniels, A. D, Kudin, K. N, Strain, M. C, Farkas, O, Tomasi, J, Barone, V, Cossi, M, Cammi, R, Mennucci, B, Pomelli, C, Adamo, C, Clifford, S, Ochterski, J, Petersson, G. A, Ayala, P. Y, Cui, Q, Morokuma, K, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Cioslowski, J, Ortiz, J. V, Baboul, A. G, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Gomperts, R, Martin, R. L. Fox, D. J, Keith, T, Al-Laham, M. A, Peng, C. Y, Nanayakkara, A, Gonzalez, C, Challacombe, M, Gill, P. M. W, Johnson, B, Chen, W, Wong, M. W, Andres, J. L, Gonzalez, C, Head-Gordon, M, Replogle, E. S, Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc, Pittsburgh, PA, 1998
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L. Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
  • 35
    • 84906377930 scopus 로고    scopus 로고
    • Butcher, P. N. Nonlinear Optical Phenomena Bulletin 200, Eng., Expt, Station, Ohio State University, 1965.
    • Butcher, P. N. Nonlinear Optical Phenomena Bulletin 200, Eng., Expt, Station, Ohio State University, 1965.
  • 39
    • 84906363586 scopus 로고    scopus 로고
    • Helgaker, T, Jensen, H. J. Aa, Joergensen, P, Olsen, J, Ruud, K, Aagren, H, Auer, A. A, Bak, K. L, Bakken, V, Christiansen, O, Coriani, S, Dahle, P, Dalskov, E. K, Enevoldsen, T, Fernandez, B, Haettig, C, Hald, K, Halkier, A, Heiberg, H, Hettema, H, Jonsson, D, Kirpekar, Klopper, W, S, Kobayashi, R, Koch, H, Mikkelsen, K. V, Norman, P, Packer, M. J, Pedersen, T. B, Ruden, Salek, P, T. A, Sanchez, A, Saue, T, Sauer, S. P. A, Schimmelpfennig, B, Sylvester-Hvid, K. O, Taylor, P. R, Vahtras, O. DALTON, release 2.0; 2004
    • Helgaker, T.; Jensen, H. J. Aa.; Joergensen, P.; Olsen, J.; Ruud, K.; Aagren, H.; Auer, A. A.; Bak, K. L.; Bakken, V.; Christiansen, O.; Coriani, S.; Dahle, P.; Dalskov, E. K.; Enevoldsen, T.; Fernandez, B.; Haettig, C.; Hald, K.; Halkier, A.; Heiberg, H.; Hettema, H.; Jonsson, D.; Kirpekar, Klopper, W.; S.; Kobayashi, R.; Koch, H.; Mikkelsen, K. V.; Norman, P.; Packer, M. J.; Pedersen, T. B.; Ruden, Salek, P.; T. A.; Sanchez, A.; Saue, T.; Sauer, S. P. A.; Schimmelpfennig, B.; Sylvester-Hvid, K. O.; Taylor, P. R.; Vahtras, O. DALTON, release 2.0; 2004.
  • 40
    • 84906377927 scopus 로고    scopus 로고
    • μ, 1 au, 8.4783 × 10-31 C m; Q, 1 au, 4.486 55 × 10-40 C m2; α(1,1, 1 a.u, 0.148 174 × 10-24 esu, 0.1649 × 1040 (C 2 m2)/J; α(1,2, 1 au, 0.087 25 × 10 -50 (C2 m3)/J, 0.0784 × 10-32 esu; α(2,2, 1 au, 0.046 17 × 10-60 (C 2 m4)/J, 0.041 496 × 10-40 esu; β, 1 au, 0.863 993 × 10-32 esu, 0.320 662 × 10 -52 (C3 m4)/J2, γ, 1 au, 0.503 717 × 10-39 esu, 0.623 597 × 10-64 (C4 m4)/J3; χ(2, m V -1, 4.189 × 10-4 χ(2, esu, χ(3, m2 V-2, 1.40 × 10 -8 χ3, esu
    • (3) (esu).
  • 56
    • 33745771006 scopus 로고
    • Johannes Gutenberg Universität Mainz, Germany
    • Wortmann, R. Habilitationsschrift; Johannes Gutenberg Universität Mainz, Germany, 1993.
    • (1993) Habilitationsschrift
    • Wortmann, R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.