메뉴 건너뛰기




Volumn 131, Issue 4, 2009, Pages

Quasienergy formulation of damped response theory

Author keywords

[No Author keywords available]

Indexed keywords

EFFECTIVE LIFETIME; EFFECTIVE TOOL; ELIMINATION RULES; EXCITED STATE LIFETIMES; FREQUENCY RANGES; HARTREE-FOCK THEORY; LINESHAPE FUNCTION; QUASI-ENERGY; RESPONSE EQUATIONS; RESPONSE FUNCTIONS; RESPONSE PARAMETERS; RESPONSE THEORY;

EID: 68249117363     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3173828     Document Type: Article
Times cited : (75)

References (62)
  • 2
    • 84943916196 scopus 로고
    • 10.1080/00268977100100481
    • B. J. Orr and J. F. Ward, Mol. Phys. 20, 513 (1971). 10.1080/ 00268977100100481
    • (1971) Mol. Phys. , vol.20 , pp. 513
    • Orr, B.J.1    Ward, J.F.2
  • 12
    • 0035830266 scopus 로고    scopus 로고
    • Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
    • DOI 10.1063/1.1415081
    • P. Norman, D. M. Bishop, H. J. Aa. Jensen, and J. Oddershede, J. Chem. Phys. 115, 10323 (2001). 10.1063/1.1415081 (Pubitemid 34061139)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.22 , pp. 10323-10334
    • Norman, P.1    Bishop, D.M.2    Jensen, H.J.Aa.3    Oddershede, J.4
  • 16
    • 1842531892 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.69.085111
    • X. Blase and P. Ordejón, Phys. Rev. B 69, 085111 (2004). 10.1103/PhysRevB.69.085111
    • (2004) Phys. Rev. B , vol.69 , pp. 085111
    • Blase, X.1    Ordejón, P.2
  • 17
    • 20544466926 scopus 로고    scopus 로고
    • Finite lifetime effects on the polarizability within time-dependent density-functional theory
    • DOI 10.1063/1.1929740, 224115
    • L. Jensen, J. Autschbach, and G. C. Schatz, J. Chem. Phys. 122, 224115 (2005). 10.1063/1.1929740 (Pubitemid 40844866)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.22 , pp. 1-11
    • Jensen, L.1    Autschbach, J.2    Schatz, G.C.3
  • 19
    • 34047276121 scopus 로고    scopus 로고
    • Electronic circular dichroism spectra from the complex polarization propagator
    • DOI 10.1063/1.2716660
    • A. Jiemchooroj and P. Norman, J. Chem. Phys. 126, 134102 (2007). 10.1063/1.2716660 (Pubitemid 46550222)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.13 , pp. 134102
    • Jiemchooroj, A.1    Norman, P.2
  • 21
    • 33746297347 scopus 로고    scopus 로고
    • Calculation of origin-independent optical rotation tensor components in approximate time-dependent density functional theory
    • DOI 10.1063/1.2210474
    • M. Krykunov and J. Autschbach, J. Chem. Phys. 125, 034102 (2006). 10.1063/1.2210474 (Pubitemid 44107126)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.3 , pp. 034102
    • Krykunov, M.1    Autschbach, J.2
  • 22
    • 33845286924 scopus 로고    scopus 로고
    • Calculation of circular dichroism spectra from optical rotatory dispersion, and vice versa, as complementary tools for theoretical studies of optical activity using time-dependent density functional theory
    • DOI 10.1063/1.2363372
    • M. Krykunov, M. D. Kundrat, and J. Autschbach, J. Chem. Phys. 125, 194110 (2006). 10.1063/1.2363372 (Pubitemid 44867323)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.19 , pp. 194110
    • Krykunov, M.1    Kundrat, M.D.2    Autschbach, J.3
  • 23
    • 33749344896 scopus 로고    scopus 로고
    • Polarization propagator for X-ray spectra
    • DOI 10.1103/PhysRevLett.97.143001
    • U. Ekström, P. Norman, V. Carravetta, and H. Ågren, Phys. Rev. Lett. 97, 143001 (2006). 10.1103/PhysRevLett.97.143001 (Pubitemid 44498329)
    • (2006) Physical Review Letters , vol.97 , Issue.14 , pp. 143001
    • Ekstrom, U.1    Norman, P.2    Carravetta, V.3    Agren, H.4
  • 26
    • 36049044738 scopus 로고    scopus 로고
    • Near-edge x-ray absorption and natural circular dichroism spectra of L-alanine: A theoretical study based on the complex polarization propagator approach
    • DOI 10.1063/1.2800024
    • A. Jiemchooroj, U. Ekström, and P. Norman, J. Chem. Phys. 127, 165104 (2007). 10.1063/1.2800024 (Pubitemid 350094901)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.16 , pp. 165104
    • Jiemchooroj, A.1    Ekstrom, U.2    Norman, P.3
  • 28
    • 33846233082 scopus 로고    scopus 로고
    • Calculation of static and dynamic linear magnetic response in approximate time-dependent density functional theory
    • DOI 10.1063/1.2423007
    • M. Krykunov and J. Autschbach, J. Chem. Phys. 126, 024101 (2007). 10.1063/1.2423007 (Pubitemid 46105647)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.2 , pp. 024101
    • Krykunov, M.1    Autschbach, J.2
  • 30
    • 33745748486 scopus 로고    scopus 로고
    • 20 nanoclusters
    • DOI 10.1021/nl0607378
    • L. L. Zhao, L. Jensen, and G. C. Schatz, Nano Lett. 6, 1229 (2006). 10.1021/nl0607378 (Pubitemid 44013487)
    • (2006) Nano Letters , vol.6 , Issue.6 , pp. 1229-1234
    • Zhao, L.L.1    Jensen, L.2    Schatz, G.C.3
  • 33
    • 33744787335 scopus 로고    scopus 로고
    • Resonance Raman scattering of rhodamine 6G as calculated using time-dependent density functional theory
    • DOI 10.1021/jp0610867
    • L. Jensen and G. C. Schatz, J. Phys. Chem. A 110, 5973 (2006). 10.1021/jp0610867 (Pubitemid 43829036)
    • (2006) Journal of Physical Chemistry A , vol.110 , Issue.18 , pp. 5973-5977
    • Jensen, L.1    Schatz, G.C.2
  • 34
    • 34948825487 scopus 로고    scopus 로고
    • Resonance vibrational Raman optical activity: A time-dependent density functional theory approach
    • DOI 10.1063/1.2768533
    • L. Jensen, J. Autschbach, M. Krykunov, and G. C. Schatz, J. Chem. Phys. 127, 134101 (2007). 10.1063/1.2768533 (Pubitemid 47531597)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.13 , pp. 134101
    • Jensen, L.1    Autschbach, J.2    Krykunov, M.3    Schatz, G.C.4
  • 40
    • 40549122350 scopus 로고    scopus 로고
    • Complex polarization propagator calculations of magnetic circular dichroism spectra
    • DOI 10.1063/1.2834924
    • H. Solheim, K. Ruud, S. Coriani, and P. Norman, J. Chem. Phys. 128, 094103 (2008). 10.1063/1.2834924 (Pubitemid 351357782)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.9 , pp. 094103
    • Solheim, H.1    Ruud, K.2    Coriani, S.3    Norman, P.4
  • 48
  • 52
    • 68249105371 scopus 로고    scopus 로고
    • DALTON, an ab initio electronic structure program, Release 2.0 See.
    • T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, DALTON, an ab initio electronic structure program, Release 2.0 See http://www.kjemi.uio.no/software/ dalton/dalton.html (2005).
    • (2005)
    • Helgaker, T.1    Jensen, H.J.Aa.2    Jørgensen, P.3
  • 53
    • 0035585126 scopus 로고    scopus 로고
    • Direct optimization of the atomic-orbital density matrix using the conjugate-gradient method with a multilevel preconditioner
    • DOI 10.1063/1.1415083
    • H. Larsen, J. Olsen, P. Jørgensen, and T. Helgaker, J. Chem. Phys. 115, 9685 (2001). 10.1063/1.1415083 (Pubitemid 33147329)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.21 , pp. 9685-9697
    • Larsen, H.1    Olsen, J.2    Jorgensen, P.3
  • 54
    • 0032510475 scopus 로고    scopus 로고
    • Structure at 0.85 ÁA; resolution of an early protein photocycle intermediate
    • DOI 10.1038/32462
    • U. K. Genick, S. M. Soltis, P. Kuhn, I. L. Canestrelli, and E. D. Getzoff, Nature (London) 392, 206 (1998). 10.1038/32462 (Pubitemid 28162797)
    • (1998) Nature , vol.392 , Issue.6672 , pp. 206-209
    • Genick, U.K.1    Soltis, S.M.2    Kuhn, P.3    Canestrelli, I.L.4    Getzoff, E.D.5
  • 61
    • 68249091185 scopus 로고    scopus 로고
    • Maestro v. 8.5, See.
    • Maestro v. 8.5, See http://www.schrodinger.com.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.