-
2
-
-
2342486652
-
The path to ubiquitous and low-cost organic electronic appliances on plastic
-
DOI 10.1038/nature02498
-
S. R. Forrest, Nature (London) 428, 911 (2004). 10.1038/nature02498 (Pubitemid 38568095)
-
(2004)
Nature
, vol.428
, Issue.6986
, pp. 911-918
-
-
Forrest, S.R.1
-
3
-
-
33748276727
-
Excitons in nanoscale systems
-
DOI 10.1038/nmat1710, PII NMAT1710
-
G. D. Scholes and G. Rumbles, Nature Mater. 5, 683 (2006). 10.1038/nmat1710 (Pubitemid 44320320)
-
(2006)
Nature Materials
, vol.5
, Issue.9
, pp. 683-696
-
-
Scholes, G.D.1
Rumbles, G.2
-
4
-
-
33144488664
-
Photophysics of excitons in quasi-one-dimensional organic semiconductors: Single-walled carbon nanotubes and π -conjugated polymers
-
DOI 10.1103/PhysRevB.73.075403, 075403
-
H. Zhao, S. Mazumdar, C. X. Sheng, M. Tong, and Z. V. Vardeny, Phys. Rev. B 73, 075403 (2006). 10.1103/PhysRevB.73.075403 (Pubitemid 43270763)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.7
, pp. 1-11
-
-
Zhao, H.1
Mazumdar, S.2
Sheng, C.-X.3
Tong, M.4
Vardeny, Z.V.5
-
6
-
-
34748873709
-
-
10.1039/tf9534901375
-
J. A. Pople, Trans. Faraday Soc. 49, 1375 (1953). 10.1039/tf9534901375
-
(1953)
Trans. Faraday Soc.
, vol.49
, pp. 1375
-
-
Pople, J.A.1
-
9
-
-
0035540768
-
-
10.1103/RevModPhys.73.681
-
A. J. Heeger, Rev. Mod. Phys. 73, 681 (2001). 10.1103/RevModPhys.73.681
-
(2001)
Rev. Mod. Phys.
, vol.73
, pp. 681
-
-
Heeger, A.J.1
-
10
-
-
37649029450
-
Dynamics of photogenerated polarons in conjugated polymers
-
DOI 10.1103/PhysRevLett.93.216407, 216407
-
Z. An, C. Q. Wu, and X. Sun, Phys. Rev. Lett. 93, 216407 (2004). 10.1103/PhysRevLett.93.216407 (Pubitemid 40011405)
-
(2004)
Physical Review Letters
, vol.93
, Issue.21
, pp. 2164071-2164074
-
-
An, Z.1
Wu, C.Q.2
Sun, X.3
-
11
-
-
0001172942
-
-
10.1103/PhysRevLett.74.621
-
A. Anderson, Phys. Rev. Lett. 74, 621 (1995); 10.1103/PhysRevLett.74.621
-
(1995)
Phys. Rev. Lett.
, vol.74
, pp. 621
-
-
Anderson, A.1
-
12
-
-
0000971211
-
-
10.1103/PhysRevA.60.842
-
J. Caro and L. L. Salcedo, Phys. Rev. A 60, 842 (1999); 10.1103/PhysRevA.60.842
-
(1999)
Phys. Rev. A
, vol.60
, pp. 842
-
-
Caro, J.1
Salcedo, L.L.2
-
14
-
-
40549129675
-
The Ehrenfest approximation for electrons coupled to a phonon system
-
DOI 10.1088/0953-8984/20/12/125212, PII S0953898408681357
-
J. le Page, D. R. Mason, and W. M. C. Foulkes, J. Phys.: Condens. Matter 20, 125212 (2008). 10.1088/0953-8984/20/12/125212 (Pubitemid 351366582)
-
(2008)
Journal of Physics Condensed Matter
, vol.20
, Issue.12
, pp. 125212
-
-
Le Page, J.1
Mason, D.R.2
Foulkes, W.M.C.3
-
15
-
-
36749113388
-
-
10.1063/1.442382
-
E. J. Heller, J. Chem. Phys. 75, 2923 (1981). 10.1063/1.442382
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 2923
-
-
Heller, E.J.1
-
18
-
-
2742590512
-
-
10.1039/a801824c
-
J. C. Tully, Faraday Discuss. 110, 407 (1998); 10.1039/a801824c
-
(1998)
Faraday Discuss.
, vol.110
, pp. 407
-
-
Tully, J.C.1
-
25
-
-
0037156912
-
-
10.1103/PhysRevLett.88.166402
-
N. L. Doltsinis and D. Marx, Phys. Rev. Lett. 88, 166402 (2002). 10.1103/PhysRevLett.88.166402
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 166402
-
-
Doltsinis, N.L.1
Marx, D.2
-
26
-
-
9944249993
-
-
10.1088/0953-8984/16/46/012
-
A. P. Horsfield, D. R. Bowler, A. J. Fisher, T. N. Todorov, and C. G. Snchez, J. Phys.: Condens. Matter 16, 8251 (2004); 10.1088/0953-8984/16/46/012
-
(2004)
J. Phys.: Condens. Matter
, vol.16
, pp. 8251
-
-
Horsfield, A.P.1
Bowler, D.R.2
Fisher, A.J.3
Todorov, T.N.4
Snchez, C.G.5
-
27
-
-
22844437053
-
Correlated electron-ion dynamics: The excitation of atomic motion by energetic electrons
-
DOI 10.1088/0953-8984/17/30/006, PII S0953898405995854
-
A. P. Horsfield, D. R. Bowler, A. J. Fisher, T. N. Todorov, and C. G. Snchez, J. Phys.: Condens. Matter 17, 4793 (2005); 10.1088/0953-8984/17/30/006 (Pubitemid 41036999)
-
(2005)
Journal of Physics Condensed Matter
, vol.17
, Issue.30
, pp. 4793-4812
-
-
Horsfield, A.P.1
Bowler, D.R.2
Fisher, A.J.3
Todorov, T.N.4
Sanchez, C.G.5
-
28
-
-
33644998381
-
The transfer of energy between electrons and ions in solids
-
DOI 10.1088/0034-4885/69/4/R05, PII S0034488506890688
-
A. P. Horsfield, D. R. Bowler, H. Ness, C. G. Snchez, T. N. Todorov, and A. J. Fisher, Rep. Prog. Phys. 69, 1195 (2006). 10.1088/0034-4885/69/4/R05 (Pubitemid 43403284)
-
(2006)
Reports on Progress in Physics
, vol.69
, Issue.4
, pp. 1195-1234
-
-
Horsfield, A.P.1
Bowler, D.R.2
Ness, H.3
Snchez, C.G.4
Todorov, T.N.5
Fisher, A.J.6
-
29
-
-
78149284283
-
-
10.1140/epjb/e2010-00280-5
-
E. J. McEniry, Y. Wang, D. Dundas, T. N. Todorov, L. Stella, R. P. Miranda, A. J. Fisher, A. P. Horsfield, C. P. Race, D. R. Mason, W. M. C. Foulkes, and A. P. Sutton, Eur. Phys. J. B 77, 305 (2010). 10.1140/epjb/e2010- 00280-5
-
(2010)
Eur. Phys. J. B
, vol.77
, pp. 305
-
-
McEniry, E.J.1
Wang, Y.2
Dundas, D.3
Todorov, T.N.4
Stella, L.5
Miranda, R.P.6
Fisher, A.J.7
Horsfield, A.P.8
Race, C.P.9
Mason, D.R.10
Foulkes, W.M.C.11
Sutton, A.P.12
-
30
-
-
26444583429
-
Ab initio Ehrenfest dynamics
-
DOI 10.1063/1.2008258, 084106
-
X. Li, J. C. Tully, H. B. Schlegel, and M. J. Frisch, J. Chem. Phys. 123, 084106 (2005). 10.1063/1.2008258 (Pubitemid 41417644)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.8
, pp. 1-7
-
-
Li, X.1
Tully, J.C.2
Schlegel, H.B.3
Frisch, M.J.4
-
31
-
-
33846392653
-
Trajectory surface hopping within linear response time-dependent density-functional theory
-
DOI 10.1103/PhysRevLett.98.023001
-
E. Tapavicza, I. Tavernelli, and U. Rothlisberger, Phys. Rev. Lett. 98, 023001 (2007). 10.1103/PhysRevLett.98.023001 (Pubitemid 46135203)
-
(2007)
Physical Review Letters
, vol.98
, Issue.2
, pp. 023001
-
-
Tapavicza, E.1
Tavernelli, I.2
Rothlisberger, U.3
-
32
-
-
50649084083
-
-
10.1103/PhysRevLett.101.096403
-
J. L. Alonso, X. Andrade, P. Echenique, F. Falceto, D. Prada-Gracia, and A. Rubio, Phys. Rev. Lett. 101, 096403 (2008). 10.1103/PhysRevLett.101.096403
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 096403
-
-
Alonso, J.L.1
Andrade, X.2
Echenique, P.3
Falceto, F.4
Prada-Gracia, D.5
Rubio, A.6
-
33
-
-
79957598826
-
-
As in Ref., we denote by ion a nucleus and its core electrons lumped together, even if the atom is not truly ionized. Hence, ionic is used instead of nuclear throughout the article.
-
As in Ref., we denote by ion a nucleus and its core electrons lumped together, even if the atom is not truly ionized. Hence, ionic is used instead of nuclear throughout the article.
-
-
-
-
34
-
-
2942530580
-
-
10.1088/0953-8984/16/21/010
-
A. P. Horsfield, D. R. Bowler, A. J. Fisher, T. N. Todorov, and M. J. Montgomery, J. Phys.: Condens. Matter 16, 3609 (2004); 10.1088/0953-8984/16/21/ 010
-
(2004)
J. Phys.: Condens. Matter
, vol.16
, pp. 3609
-
-
Horsfield, A.P.1
Bowler, D.R.2
Fisher, A.J.3
Todorov, T.N.4
Montgomery, M.J.5
-
36
-
-
21044436599
-
Correlated electron-ion dynamics with open boundaries: Formalism
-
DOI 10.1088/0953-8984/17/25/024, PII S0953898405976340
-
D. R. Bowler, A. P. Horsfield, C. G. Snchez, and T. N. Todorov, J. Phys.: Condens. Matter 17, 3985 (2005); 10.1088/0953-8984/17/25/024 (Pubitemid 40872061)
-
(2005)
Journal of Physics Condensed Matter
, vol.17
, Issue.25
, pp. 3985-3995
-
-
Bowler, D.R.1
Horsfield, A.P.2
Sanchez, C.G.3
Todorov, T.N.4
-
37
-
-
34248670390
-
Dynamical simulation of inelastic quantum transport
-
DOI 10.1088/0953-8984/19/19/196201, PII S0953898407446239
-
E. J. McEniry, D. R. Bowler, D. Dundas, A. P. Horsfield, C. G. Snchez, and T. N. Todorov, J. Phys.: Condens. Matter 19, 196201 (2007); 10.1088/0953-8984/19/19/196201 (Pubitemid 46774746)
-
(2007)
Journal of Physics Condensed Matter
, vol.19
, Issue.19
, pp. 196201
-
-
McEniry, E.J.1
Bowler, D.R.2
Dundas, D.3
Horsfield, A.P.4
Sanchez, C.G.5
Todorov, T.N.6
-
38
-
-
49149083862
-
-
10.1103/PhysRevB.78.035446
-
E. J. McEniry, T. Frederiksen, T. N. Todorov, D. Dundas, and A. P. Horsfield, Phys. Rev. B 78, 035446 (2008); 10.1103/PhysRevB.78.035446
-
(2008)
Phys. Rev. B
, vol.78
, pp. 035446
-
-
McEniry, E.J.1
Frederiksen, T.2
Todorov, T.N.3
Dundas, D.4
Horsfield, A.P.5
-
40
-
-
33644984990
-
-
10.1021/ar040202q
-
T. J. Martinez, Acc. Chem. Res. 39, 119 (2006); 10.1021/ar040202q
-
(2006)
Acc. Chem. Res.
, vol.39
, pp. 119
-
-
Martinez, T.J.1
-
41
-
-
33947369365
-
Conformationally controlled chemistry: Excited-state dynamics dictate ground-state reaction
-
DOI 10.1126/science.1136453
-
M. H. Kim, L. Shen, H. Tao, T. J. Martinez, and A. S. Suits, Science 315, 1561 (2007). 10.1126/science.1136453 (Pubitemid 46449469)
-
(2007)
Science
, vol.315
, Issue.5818
, pp. 1561-1565
-
-
Kim, M.H.1
Shen, L.2
Tao, H.3
Martinez, T.J.4
Suits, A.G.5
-
42
-
-
36849029719
-
Robust nonadiabatic molecular dynamics for metals and insulators
-
DOI 10.1063/1.2801537
-
L. Stella, M. Meister, A. J. Fisher, and A. P. Horsfield, J. Chem. Phys. 127, 214104 (2007). 10.1063/1.2801537 (Pubitemid 350234528)
-
(2007)
Journal of Chemical Physics
, vol.127
, Issue.21
, pp. 214104
-
-
Stella, L.1
Meister, M.2
Fisher, A.J.3
Horsfield, A.P.4
-
43
-
-
67650046588
-
-
10.1103/PhysRevB.79.235102
-
Y. Wang, Phys. Rev. B 79, 235102 (2009). 10.1103/PhysRevB.79.235102
-
(2009)
Phys. Rev. B
, vol.79
, pp. 235102
-
-
Wang, Y.1
-
45
-
-
1942451937
-
-
10.1088/0268-1242/19/4/104
-
M. I. Vasilevskiy, R. P. Miranda, E. V. Anda, and S. S. Makler, Semicond. Sci. Technol. 19, S312 (2004). 10.1088/0268-1242/19/4/104
-
(2004)
Semicond. Sci. Technol.
, vol.19
, pp. 312
-
-
Vasilevskiy, M.I.1
Miranda, R.P.2
Anda, E.V.3
Makler, S.S.4
-
46
-
-
34147213066
-
Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems
-
DOI 10.1038/nature05678, PII NATURE05678
-
G. S. Engel, T. R. Calhoun, E. L. Read, T. K. Ahn, T. Manal, Y. C. Cheng, R. E. Blankenship, and G. R. Fleming, Nature (London) 446, 782 (2007); 10.1038/nature05678 (Pubitemid 46582029)
-
(2007)
Nature
, vol.446
, Issue.7137
, pp. 782-786
-
-
Engel, G.S.1
Calhoun, T.R.2
Read, E.L.3
Ahn, T.-K.4
Mancal, T.5
Cheng, Y.-C.6
Blankenship, R.E.7
Fleming, G.R.8
-
47
-
-
34250185415
-
Coherence dynamics in photosynthesis: Protein protection of excitonic coherence
-
DOI 10.1126/science.1142188
-
H. Lee, Y. H. Cheng, and G. R. Fleming, Science 316, 1462 (2007). 10.1126/science.1142188 (Pubitemid 46906609)
-
(2007)
Science
, vol.316
, Issue.5830
, pp. 1462-1465
-
-
Lee, H.1
Cheng, Y.-C.2
Fleming, G.R.3
-
48
-
-
58449086151
-
-
10.1126/science.1164016
-
E. Collini and G. D. Scholes, Science 323, 369 (2009); 10.1126/science.1164016
-
(2009)
Science
, vol.323
, pp. 369
-
-
Collini, E.1
Scholes, G.D.2
-
49
-
-
76249103854
-
-
10.1038/nature08811
-
E. Collini, C. Y. Wong, K. E. Wilk, P. M. G. Curmi, P. Brumer, and G. D. Scholes, Nature (London) 463, 644 (2010). 10.1038/nature08811
-
(2010)
Nature (London)
, vol.463
, pp. 644
-
-
Collini, E.1
Wong, C.Y.2
Wilk, K.E.3
Curmi, P.M.G.4
Brumer, P.5
Scholes, G.D.6
-
50
-
-
51749120744
-
-
10.1063/1.2977974
-
S. Jang, Y. C. Cheng, D. R. Reichman, and J. D. Eaves, J. Chem. Phys. 129, 101104 (2008); 10.1063/1.2977974
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 101104
-
-
Jang, S.1
Cheng, Y.C.2
Reichman, D.R.3
Eaves, J.D.4
-
54
-
-
33846210982
-
Exciton dissociation at donor-acceptor polymer heterojunctions: Quantum nonadiabatic dynamics and effective-mode analysis
-
DOI 10.1063/1.2431358
-
H. Tamura, E. R. Bittner, and I. Burghardt, J. Chem. Phys. 126, 021103 (2007); 10.1063/1.2431358 (Pubitemid 46105641)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.2
, pp. 021103
-
-
Tamura, H.1
Bittner, E.R.2
Burghardt, I.3
-
55
-
-
34547183367
-
Nonadiabatic quantum dynamics based on a hierarchical electron-phonon model: Exciton dissociation in semiconducting polymers
-
DOI 10.1063/1.2748050
-
H. Tamura, E. R. Bittner, and I. Burghardt, J. Chem. Phys. 127, 034706 (2007); 10.1063/1.2748050 (Pubitemid 47120733)
-
(2007)
Journal of Chemical Physics
, vol.127
, Issue.3
, pp. 034706
-
-
Tamura, H.1
Bittner, E.R.2
Burghardt, I.3
-
56
-
-
40849142297
-
Phonon-driven ultrafast exciton dissociation at donor-acceptor polymer heterojunctions
-
DOI 10.1103/PhysRevLett.100.107402
-
H. Tamura, J. G. S. Ramon, E. R. Bittner, and I. Burghardt, Phys. Rev. Lett. 100, 107402 (2008); 10.1103/PhysRevLett.100.107402 (Pubitemid 351399116)
-
(2008)
Physical Review Letters
, vol.100
, Issue.10
, pp. 107402
-
-
Tamura, H.1
Ramon, J.G.S.2
Bittner, E.R.3
Burghardt, I.4
-
57
-
-
67249102770
-
-
10.1063/1.3146903
-
H. Tamura, J. Chem. Phys. 130, 214705 (2009). 10.1063/1.3146903
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 214705
-
-
Tamura, H.1
-
60
-
-
0003570366
-
-
revised edition (Addison-Wesley, Reading, MA).
-
J. J. Sakurai, Modern Quantum Mechanics, revised edition (Addison-Wesley, Reading, MA, 1993).
-
(1993)
Modern Quantum Mechanics
-
-
Sakurai, J.J.1
-
61
-
-
60849099057
-
-
10.1088/1367-2630/11/1/013004
-
J. le Page, D. R. Mason, C. P. Race, and W. M. C. Foulkes, New J. Phys. 11, 013004 (2009). 10.1088/1367-2630/11/1/013004
-
(2009)
New J. Phys.
, vol.11
, pp. 013004
-
-
Le Page, J.1
Mason, D.R.2
Race, C.P.3
Foulkes, W.M.C.4
-
64
-
-
79957587744
-
-
note
-
e and F must be expanded up to the same order in R.
-
-
-
-
65
-
-
79957624729
-
-
In the current implementation of the code we use the Verlet algorithm to integrate Eq. and second order Runge-Kutta to integrate Eq..
-
In the current implementation of the code we use the Verlet algorithm to integrate Eq. and second order Runge-Kutta to integrate Eq..
-
-
-
-
66
-
-
0001965116
-
-
10.1103/RevModPhys.29.74
-
U. Fano, Rev. Mod. Phys. 29, 74 (1957); 10.1103/RevModPhys.29.74
-
(1957)
Rev. Mod. Phys.
, vol.29
, pp. 74
-
-
Fano, U.1
-
67
-
-
0011407476
-
-
10.1103/RevModPhys.32.335
-
R. McWeeny, Rev. Mod. Phys. 32, 335 (1960); 10.1103/RevModPhys.32.335
-
(1960)
Rev. Mod. Phys.
, vol.32
, pp. 335
-
-
McWeeny, R.1
-
68
-
-
36149015994
-
-
10.1103/RevModPhys.35.668
-
A. J. Coleman, Rev. Mod. Phys. 35, 668 (1963). 10.1103/RevModPhys.35.668
-
(1963)
Rev. Mod. Phys.
, vol.35
, pp. 668
-
-
Coleman, A.J.1
-
69
-
-
79957603612
-
-
(1) at each time steis feasible.
-
(1) at each time step is feasible.
-
-
-
-
71
-
-
0027560539
-
-
10.1016/0379-6779(93)91043-2
-
Z. G. Soos, S. Ramasesha, D. S. Galvo, R. G. Kepler, and S. Etemad, Synt. Met. 54, 35 (1993); 10.1016/0379-6779(93)91043-2
-
(1993)
Synt. Met.
, vol.54
, pp. 35
-
-
Soos, Z.G.1
Ramasesha, S.2
Galvo, D.S.3
Kepler, R.G.4
Etemad, S.5
-
73
-
-
79051470756
-
-
10.1209/0295-5075/79/17002
-
B. Di, Z. An, Y. C. Li, and C. Q. Wu, Eurohys. Lett. 79, 17002 (2007). 10.1209/0295-5075/79/17002
-
(2007)
Eurohys. Lett.
, vol.79
, pp. 17002
-
-
Di, B.1
An, Z.2
Li, Y.C.3
Wu, C.Q.4
-
75
-
-
79957586193
-
-
A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. II. Coulomb interaction effects in single conjugated polymer chains (submitted).
-
A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. II. Coulomb interaction effects in single conjugated polymer chains (submitted).
-
-
-
|