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1
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1542515852
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edited by H. Ehrenreich and F. Spaepen (Academic, New York)
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N. C. Greenham and R. H. Friend, in Solid State Physics, Advances in Research and Application, edited by H. Ehrenreich and F. Spaepen (Academic, New York, 1995), Vol. 49, p. 1.
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(1995)
Solid State Physics, Advances in Research and Application
, vol.49
, pp. 1
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Greenham, N.C.1
Friend, R.H.2
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5
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0037171091
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We used the local density approximation (LDA) for the exchange-correlation energy. The calculations were performed using SIESTA with a DZP basis, see J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002); P. Ordejon, E. Artacho, and J. M. Soler, Phys. Rev. B 53, 10441 (1996); PARATEC (PARAllel Total Energy Code) by B. Pfrommer, D. Raczkowski, A. Canning, and S. G. Louie at the Lawrence Berkeley National Laboratory (with contributions from F. Mauri, M. Côté, Y. Yoon, C. Pickard, and P. Haynes). For more information, see www.nersc.gov/projects/paratec.
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(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 2745
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Soler, J.M.1
Artacho, E.2
Gale, J.D.3
Garcia, A.4
Junquera, J.5
Ordejon, P.6
Sanchez-Portal, D.7
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6
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0000730460
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We used the local density approximation (LDA) for the exchange-correlation energy. The calculations were performed using SIESTA with a DZP basis, see J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002); P. Ordejon, E. Artacho, and J. M. Soler, Phys. Rev. B 53, 10441 (1996); PARATEC (PARAllel Total Energy Code) by B. Pfrommer, D. Raczkowski, A. Canning, and S. G. Louie at the Lawrence Berkeley National Laboratory (with contributions from F. Mauri, M. Côté, Y. Yoon, C. Pickard, and P. Haynes). For more information, see www.nersc.gov/projects/paratec.
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(1996)
Phys. Rev. B
, vol.53
, pp. 10441
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Ordejon, P.1
Artacho, E.2
Soler, J.M.3
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7
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0037171091
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PARATEC (PARAllel Total Energy Code) by B. Pfrommer, D. Raczkowski, A. Canning, and S. G. Louie at the Lawrence Berkeley National Laboratory (with contributions from F. Mauri, M. Côté, Y. Yoon, C. Pickard, and P. Haynes)
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We used the local density approximation (LDA) for the exchange-correlation energy. The calculations were performed using SIESTA with a DZP basis, see J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002); P. Ordejon, E. Artacho, and J. M. Soler, Phys. Rev. B 53, 10441 (1996); PARATEC (PARAllel Total Energy Code) by B. Pfrommer, D. Raczkowski, A. Canning, and S. G. Louie at the Lawrence Berkeley National Laboratory (with contributions from F. Mauri, M. Côté, Y. Yoon, C. Pickard, and P. Haynes). For more information, see www.nersc.gov/projects/paratec.
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9
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0000958064
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and references therein
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C. Ambrosch-Draxl, J. A. Majewski, P. Vogl, and G. Leising, Phys. Rev. B 51, 9668 (1995), and references therein.
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(1995)
Phys. Rev. B
, vol.51
, pp. 9668
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Ambrosch-Draxl, C.1
Majewski, J.A.2
Vogl, P.3
Leising, G.4
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10
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7244242414
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note
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The Stokes shift can also be calculated as the difference between the constrained-DFT total energy for the excited-state and the DFT energy for the ground state, but this gives an almost identical result
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15
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0001306427
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J.-W. van der Horst et al., Phys. Rev. Lett. 83, 4413 (1999); Phys. Rev. B 61, 15817 (2000); Phys. Rev. B 66, 035206 (2002).
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(1999)
Phys. Rev. Lett.
, vol.83
, pp. 4413
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Van Der Horst, J.-W.1
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16
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0001325507
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J.-W. van der Horst et al., Phys. Rev. Lett. 83, 4413 (1999); Phys. Rev. B 61, 15817 (2000); Phys. Rev. B 66, 035206 (2002).
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(2000)
Phys. Rev. B
, vol.61
, pp. 15817
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17
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0037101221
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J.-W. van der Horst et al., Phys. Rev. Lett. 83, 4413 (1999); Phys. Rev. B 61, 15817 (2000); Phys. Rev. B 66, 035206 (2002).
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(2002)
Phys. Rev. B
, vol.66
, pp. 035206
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18
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7244224954
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note
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The technical details of our GW-BSE calculations are similar to those of Refs. [10,12] except for the screening of the electron-electron interaction. Refs. [10,12] considered a single-chain but included additional screening to model the effect of the other chains in a solid, while in the present single-chain calculations no additional screening was added.
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19
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7244226353
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note
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These results also imply that the structural relaxations and Stokes shifts in the lowest singlet and triplet states of PPP should be very similar.
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