-
2
-
-
28344451958
-
-
CHPLBC 0009-2614 10.1016/0009-2614(74)85031-1
-
A. Aviram and M. A. Ratner, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(74)85031-1 29, 277 (1974).
-
(1974)
Chem. Phys. Lett.
, vol.29
, pp. 277
-
-
Aviram, A.1
Ratner, M.A.2
-
3
-
-
1842413643
-
Conductance of a molecular junction
-
DOI 10.1126/science.278.5336.252
-
M. A. Reed, C. Zhou, C. J. Muller, T. P. Burgin, and J. M. Tour, Science SCIEAS 0036-8075 10.1126/science.278.5336.252 278, 252 (1997). (Pubitemid 27450865)
-
(1997)
Science
, vol.278
, Issue.5336
, pp. 252-254
-
-
Reed, M.A.1
Zhou, C.2
Muller, C.J.3
Burgin, T.P.4
Tour, J.M.5
-
4
-
-
78649976514
-
-
1476-1122 10.1038/nmat2896
-
T. Sekitani, U. Zschieschang, H. Klauk, and T. Someya, Nat. Mater. 1476-1122 10.1038/nmat2896 9, 1015 (2010).
-
(2010)
Nat. Mater.
, vol.9
, pp. 1015
-
-
Sekitani, T.1
Zschieschang, U.2
Klauk, H.3
Someya, T.4
-
5
-
-
0035799556
-
Four-terminal resistance of a ballistic quantum wire
-
DOI 10.1038/35075009
-
R. de Picciotto, H. L. Stormer, L. N. Pfeiffer, K. W. Baldwin, and K. W. West, Nature NATUAS 0028-0836 10.1038/35075009 411, 51 (2001). (Pubitemid 32428185)
-
(2001)
Nature
, vol.411
, Issue.6833
, pp. 51-54
-
-
De Picciotto, R.1
Stormer, H.L.2
Pfeiffer, L.N.3
Baldwin, K.W.4
West, K.W.5
-
6
-
-
72949091836
-
-
NATUAS 0028-0836 10.1038/nature08639
-
H. Song, Nature NATUAS 0028-0836 10.1038/nature08639 462, 1039 (2009).
-
(2009)
Nature
, vol.462
, pp. 1039
-
-
Song, H.1
-
7
-
-
33344472760
-
Ab initio tight-binding LMTO method for nonequilibrium electron transport in nanosystems
-
DOI 10.1103/PhysRevB.71.195422
-
S. V. Faleev, F. Léonard, D. A. Stewart, and M. van Schilfgaarde, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.71.195422 71, 195422 (2005). (Pubitemid 43285235)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.71
, Issue.19
, pp. 195422
-
-
Faleev, S.V.1
Leonard, F.2
Stewart, D.A.3
Van Schilfgaarde, M.4
-
8
-
-
0037965958
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.90.106801
-
J. J. Palacios, A. J. Pérez-Jiménez, E. Louis, E. SanFabián, and J. A. Vergés, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.106801 90, 106801 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 106801
-
-
Palacios, J.J.1
Pérez-Jiménez, A.J.2
Louis, E.3
Sanfabián, E.4
Vergés, J.A.5
-
9
-
-
0037371714
-
-
CMMSEM 0927-0256 10.1016/S0927-0256(02)00439-1
-
K. Stokbro, J. Taylor, M. Brandbyge, J. L. Mozos, and P. Ordejn, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/S0927-0256(02)00439-1 27, 151 (2003).
-
(2003)
Comput. Mater. Sci.
, vol.27
, pp. 151
-
-
Stokbro, K.1
Taylor, J.2
Brandbyge, M.3
Mozos, J.L.4
Ordejn, P.5
-
10
-
-
0000139628
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.64.235412
-
E. G. Emberly and G. Kirczenow, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.64.235412 64, 235412 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 235412
-
-
Emberly, E.G.1
Kirczenow, G.2
-
11
-
-
4243720937
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.63.245407
-
J. Taylor, H. Guo, and J. Wang, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.63.245407 63, 245407 (2001).
-
(2001)
Phys. Rev. B
, vol.63
, pp. 245407
-
-
Taylor, J.1
Guo, H.2
Wang, J.3
-
13
-
-
0035449733
-
Charge transfer and "band lineup" in molecular electronic devices: A chemical and numerical interpretation
-
DOI 10.1063/1.1391253
-
Y. Xue, S. Datta, and M. A. Ratner, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1391253 115, 4292 (2001). (Pubitemid 32841428)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.9
, pp. 4292-4299
-
-
Xue, Y.1
Datta, S.2
Ratner, M.A.3
-
14
-
-
28644438656
-
Molecular transport calculations with Wannier functions
-
DOI 10.1016/j.chemphys.2005.05.032, PII S0301010405002144
-
K. Thygesen and K. Jacobsen, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2005.05.032 319, 111 (2005). (Pubitemid 41750478)
-
(2005)
Chemical Physics
, vol.319
, Issue.1-3
, pp. 111-125
-
-
Thygesen, K.S.1
Jacobsen, K.W.2
-
15
-
-
19544371916
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.70.085410
-
S.-H. Ke, H. U. Baranger, and W. Yang, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.70.085410 70, 085410 (2004).
-
(2004)
Phys. Rev. B
, vol.70
, pp. 085410
-
-
Ke, S.-H.1
Baranger, H.U.2
Yang, W.3
-
17
-
-
0001299824
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.59.11936
-
S. Sanvito, C. J. Lambert, J. H. Jefferson, and A. M. Bratkovsky, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.59.11936 59, 11936 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 11936
-
-
Sanvito, S.1
Lambert, C.J.2
Jefferson, J.H.3
Bratkovsky, A.M.4
-
18
-
-
33645944934
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.55.2850
-
E. K. U. Gross and W. Kohn, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2850 55, 2850 (1985).
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2850
-
-
Gross, E.K.U.1
Kohn, W.2
-
19
-
-
77954828268
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.81.045109
-
K. Varga, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.81.045109 81, 045109 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 045109
-
-
Varga, K.1
-
20
-
-
77957567394
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.82.073106
-
N. Sergueev, L. Tsetseris, K. Varga, and S. Pantelides, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.82.073106 82, 073106 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 073106
-
-
Sergueev, N.1
Tsetseris, L.2
Varga, K.3
Pantelides, S.4
-
21
-
-
34748916379
-
Transport in multiterminal graphene nanodevices
-
DOI 10.1088/0957-4484/18/42/424033, PII S0957448407443215
-
T. Jayasekera and J. W. Mintmire, Nanotechnology NNOTER 0957-4484 10.1088/0957-4484/18/42/424033 18, 424033 (2007). (Pubitemid 47479626)
-
(2007)
Nanotechnology
, vol.18
, Issue.42
, pp. 424033
-
-
Jayasekera, T.1
Mintmire, J.W.2
-
22
-
-
71749090005
-
-
JAPIAU 0021-8979 10.1063/1.3259408
-
C. Ritter, M. Pacheco, P. Orellana, and A. Latge, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3259408 106, 104303 (2009).
-
(2009)
J. Appl. Phys.
, vol.106
, pp. 104303
-
-
Ritter, C.1
Pacheco, M.2
Orellana, P.3
Latge, A.4
-
23
-
-
72049091242
-
-
JCPSA6 0021-9606 10.1063/1.3247880
-
K. K. Saha, W. Lu, J. Bernholc, and V. Meunier, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3247880 131, 164105 (2009).
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 164105
-
-
Saha, K.K.1
Lu, W.2
Bernholc, J.3
Meunier, V.4
-
24
-
-
41549088689
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.77.115119
-
K. Kazymyrenko and X. Waintal, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.77.115119 77, 115119 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 115119
-
-
Kazymyrenko, K.1
Waintal, X.2
-
25
-
-
0037089394
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.65.155419
-
S. Ami and C. Joachim, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.65. 155419 65, 155419 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 155419
-
-
Ami, S.1
Joachim, C.2
-
26
-
-
0000674797
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.44.10637
-
H. U. Baranger, D. P. DiVincenzo, R. A. Jalabert, and A. D. Stone, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.44.10637 44, 10637 (1991).
-
(1991)
Phys. Rev. B
, vol.44
, pp. 10637
-
-
Baranger, H.U.1
Divincenzo, D.P.2
Jalabert, R.A.3
Stone, A.D.4
-
27
-
-
77955137798
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.81.125420
-
K. K. Saha, W. Lu, J. Bernholc, and V. Meunier, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.81.125420 81, 125420 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 125420
-
-
Saha, K.K.1
Lu, W.2
Bernholc, J.3
Meunier, V.4
-
28
-
-
33749406012
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.57.1761
-
M. Büttiker, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 57.1761 57, 1761 (1986).
-
(1986)
Phys. Rev. Lett.
, vol.57
, pp. 1761
-
-
Büttiker, M.1
-
29
-
-
49249106374
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.78.085301
-
P. Brusheim, D. Csontos, U. Zülicke, and H. Q. Xu, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.085301 78, 085301 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 085301
-
-
Brusheim, P.1
Csontos, D.2
Zülicke, U.3
Xu, H.Q.4
-
30
-
-
77954219468
-
-
SSCOA4 0038-1098 10.1016/j.ssc.2010.05.025
-
S. K. Maiti, Solid State Commun. SSCOA4 0038-1098 10.1016/j.ssc.2010.05. 025 150, 1269 (2010).
-
(2010)
Solid State Commun.
, vol.150
, pp. 1269
-
-
Maiti, S.K.1
-
31
-
-
33846159174
-
Controlling quantum transport through a single molecule
-
DOI 10.1021/nl0608442
-
D. M. Cardamone, C. A. Stafford, and S. Mazumdar, Nano Lett. NALEFD 1530-6984 10.1021/nl0608442 6, 2422 (2006). (Pubitemid 46076927)
-
(2006)
Nano Letters
, vol.6
, Issue.11
, pp. 2422-2426
-
-
Cardamone, D.M.1
Stafford, C.A.2
Mazumdar, S.3
-
32
-
-
33847065498
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.98.076804
-
K. Varga and S. T. Pantelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.076804 98, 076804 (2007).
-
(2007)
Phys. Rev. Lett.
, vol.98
, pp. 076804
-
-
Varga, K.1
Pantelides, S.T.2
-
33
-
-
58149466869
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.78.245118
-
J. A. Driscoll and K. Varga, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.245118 78, 245118 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 245118
-
-
Driscoll, J.A.1
Varga, K.2
-
34
-
-
77955077983
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.81.115412
-
J. A. Driscoll and K. Varga, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.81.115412 81, 115412 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115412
-
-
Driscoll, J.A.1
Varga, K.2
-
35
-
-
0004165270
-
-
John Wiley and Sons, New York
-
J. Taylor, Scattering Theory (John Wiley and Sons, New York, 1972).
-
(1972)
Scattering Theory
-
-
Taylor, J.1
-
38
-
-
0342778181
-
-
JCTPAH 0021-9991 10.1016/0021-9991(86)90199-3
-
R. Kosloff and D. Kosloff, J. Comput. Phys. JCTPAH 0021-9991 10.1016/0021-9991(86)90199-3 63, 363 (1986).
-
(1986)
J. Comput. Phys.
, vol.63
, pp. 363
-
-
Kosloff, R.1
Kosloff, D.2
-
39
-
-
4043107877
-
-
ACHRE4 0001-4842 10.1021/ar00028a007
-
W. H. Miller, Acc. Chem. Res. ACHRE4 0001-4842 10.1021/ar00028a007 26, 174 (1993).
-
(1993)
Acc. Chem. Res.
, vol.26
, pp. 174
-
-
Miller, W.H.1
-
40
-
-
36449003572
-
-
JCPSA6 0021-9606 10.1063/1.462832
-
T. Seideman and W. H. Miller, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462832 96, 4412 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 4412
-
-
Seideman, T.1
Miller, W.H.2
-
41
-
-
2342428011
-
Complex absorbing potentials
-
DOI 10.1016/j.physrep.2004.03.002, PII S0370157304001218
-
J. Muga, J. Palao, B. Navarro, and I. Egusquiza, Phys. Rep. PRPLCM 0370-1573 10.1016/j.physrep.2004.03.002 395, 357 (2004). (Pubitemid 38561918)
-
(2004)
Physics Reports
, vol.395
, Issue.6
, pp. 357-426
-
-
Muga, J.G.1
Palao, J.P.2
Navarro, B.3
Egusquiza, I.L.4
-
42
-
-
0346324382
-
-
JPCHAX 0022-3654 10.1021/j100201a012
-
A. Vibok and G. G. Balint-Kurti, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100201a012 96, 8712 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 8712
-
-
Vibok, A.1
Balint-Kurti, G.G.2
-
43
-
-
21344479431
-
-
JPHAC5 0305-4470 10.1088/0305-4470/27/12/008
-
S. Brouard, D. Macias, and J. G. Muga, J. Phys. A JPHAC5 0305-4470 10.1088/0305-4470/27/12/008 27, L439 (1994).
-
(1994)
J. Phys. A
, vol.27
, pp. 439
-
-
Brouard, S.1
MacIas, D.2
Muga, J.G.3
-
44
-
-
0012801916
-
-
CMPHC2 0301-0104 10.1016/0301-0104(87)85072-3
-
G. Jolicard and J. Humbert, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(87)85072-3 118, 397 (1987).
-
(1987)
Chem. Phys.
, vol.118
, pp. 397
-
-
Jolicard, G.1
Humbert, J.2
-
45
-
-
0036904202
-
-
JCPSA6 0021-9606 10.1063/1.1517042
-
D. E. Manolopoulos, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1517042 117, 9552 (2002).
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 9552
-
-
Manolopoulos, D.E.1
-
46
-
-
58149466869
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.78.245118
-
J. A. Driscoll and K. Varga, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.245118 78, 245118 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 245118
-
-
Driscoll, J.A.1
Varga, K.2
-
47
-
-
33846048342
-
Determination of complex absorbing potentials from the electron self-energy
-
DOI 10.1063/1.2406070
-
T. M. Henderson, G. Fagas, E. Hyde, and J. C. Greer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2406070 125, 244104 (2006). (Pubitemid 46058262)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.24
, pp. 244104
-
-
Henderson, T.M.1
Fagas, G.2
Hyde, E.3
Greer, J.C.4
-
48
-
-
0001124898
-
-
JPFMAT 0305-4608 10.1088/0305-4608/15/4/009
-
M. P. L. Sancho, J. M. L. Sancho, and J. Rubio, J. Phys. F JPFMAT 0305-4608 10.1088/0305-4608/15/4/009 15, 851 (1985).
-
(1985)
J. Phys. F
, vol.15
, pp. 851
-
-
Sancho, M.P.L.1
Sancho, J.M.L.2
Rubio, J.3
-
49
-
-
2942640269
-
-
JCOMEL 0953-8984 10.1088/0953-8984/16/21/R01
-
J. Velev and W. Butler, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/16/21/R01 16, R637 (2004).
-
(2004)
J. Phys. Condens. Matter
, vol.16
, pp. 637
-
-
Velev, J.1
Butler, W.2
-
50
-
-
0030205321
-
-
JPAPEH 0953-4075 10.1088/0953-4075/29/15/012
-
T. P. Grozdanov and R. McCarroll, J. Phys. B JPAPEH 0953-4075 10.1088/0953-4075/29/15/012 29, 3373 (1996).
-
(1996)
J. Phys. B
, vol.29
, pp. 3373
-
-
Grozdanov, T.P.1
McCarroll, R.2
-
52
-
-
0000845295
-
-
JCPSA6 0021-9606 10.1063/1.475629
-
H. Guo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475629 108, 2466 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 2466
-
-
Guo, H.1
-
53
-
-
0037157681
-
Theoretical study of predissociation dynamics of HCN/DCN in their first absorption bands
-
DOI 10.1063/1.1480874
-
D. Xu, D. Xie, and H. Guo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1480874 116, 10626 (2002). (Pubitemid 34751162)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.24
, pp. 10626-10635
-
-
Xu, D.1
Xie, D.2
Guo, H.3
-
54
-
-
22944440980
-
+ using the Lanczos algorithm
-
DOI 10.1063/1.1836760, 044108
-
F. Bouakline, T. P. Grozdanov, L. Andric, and R. McCarroll, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1836760 122, 044108 (2005). (Pubitemid 41047583)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.4
, pp. 1-8
-
-
Bouakline, F.1
Grozdanov, T.P.2
Andric, L.3
McCarroll, R.4
|