Conductance Length Dependence in Carbon-Conjugated Nanoscale Systems …
605
38. Takatsuka K, Fueno T, Yamaguchi K (1978) Distribution of odd electrons in ground-state
molecules. Theor Chim Acta 48:175–183
39. Head-Gordon M (2003) Characterizing unpaired electrons from the one-particle density matrix.
Chem Phys Lett 372:508–511
40. Mott N (1974) Metal-insulator transitions. Taylor & Francis, London
41. Gebhard F (1997) The Mott metal-insulator transition: models and methods. Springer, New
York
42. Brédas J-L (2014) Mind the gap! Materials Horizons 1:17–19
43. Raghu C, Pati YA, Ramasesha S (2002) A density matrix renormalization group study of lowlying excitations of polyacene within a Pariser-Parr-Pople model. Phys Rev B 66:035116-1-11
44. Das M (2014) Low-lying excited states in armchair polyacene within Pariser-Parr-Pople model:
a density matrix renormalization group study. J Chem Phys 140:124317-1-6
45. Alfonsi J (2014) Size dependence of excited state properties in zigzag graphene nanoribbons.
J Phys Conf Ser 566:012013-1-6
46. Goli VMLDP, Prodhan S, Mazumdar S, Ramasesha S (2016) Correlated electronic properties
of some graphene nanoribbons: A DMRG study. Phys Rev B 94:035139-1-12
47. Deshpande VV, Chandra B, Caldwell R, Novikov DS, Hone J, Bockrath M (2009) Mott
insulating state in ultraclean carbon nanotubes. Science 323:106–110
48. Mironov GI (2017) The energy spectrum of zigzag single-walled carbon nanotubes in the
Hubbard model, in the static-fluctuation approximation. Low Temp Phys 43:719–723
49. Bazzanella M, Faccioli P, Lipparini E (2010) Effect of interactions on the conductance of
graphene nanoribbons. Phys. Rev. B 82:205422-1-9
50. Tsuji Y, Estrada E (2019) Influence of long-range interactions on quantum interference in
molecular conduction. A tight-binding (Hückel) approach. J. Chem. Phys. 150:204123-1-13
51. Hall GG (1955) The bond orders of alternant hydrocarbon molecules. Proc R Soc Lond
229:251–259
52. Pople JA, Hush NS (1955) Ionization potentials and electron affinities of conjugated
hydrocarbon molecules and radicals. Trans Faraday Soc 51:600–605
53. MacLachlan AD (1961) Electrons and holes in alternant hydrocarbons. Mol Phys 4:49–56
54. Pople JA (1953) Electron interaction in unsaturated hydrocarbons. Trans araday Soc 49:1375–
1385
605
38. Takatsuka K, Fueno T, Yamaguchi K (1978) Distribution of odd electrons in ground-state
molecules. Theor Chim Acta 48:175–183
39. Head-Gordon M (2003) Characterizing unpaired electrons from the one-particle density matrix.
Chem Phys Lett 372:508–511
40. Mott N (1974) Metal-insulator transitions. Taylor & Francis, London
41. Gebhard F (1997) The Mott metal-insulator transition: models and methods. Springer, New
York
42. Brédas J-L (2014) Mind the gap! Materials Horizons 1:17–19
43. Raghu C, Pati YA, Ramasesha S (2002) A density matrix renormalization group study of lowlying excitations of polyacene within a Pariser-Parr-Pople model. Phys Rev B 66:035116-1-11
44. Das M (2014) Low-lying excited states in armchair polyacene within Pariser-Parr-Pople model:
a density matrix renormalization group study. J Chem Phys 140:124317-1-6
45. Alfonsi J (2014) Size dependence of excited state properties in zigzag graphene nanoribbons.
J Phys Conf Ser 566:012013-1-6
46. Goli VMLDP, Prodhan S, Mazumdar S, Ramasesha S (2016) Correlated electronic properties
of some graphene nanoribbons: A DMRG study. Phys Rev B 94:035139-1-12
47. Deshpande VV, Chandra B, Caldwell R, Novikov DS, Hone J, Bockrath M (2009) Mott
insulating state in ultraclean carbon nanotubes. Science 323:106–110
48. Mironov GI (2017) The energy spectrum of zigzag single-walled carbon nanotubes in the
Hubbard model, in the static-fluctuation approximation. Low Temp Phys 43:719–723
49. Bazzanella M, Faccioli P, Lipparini E (2010) Effect of interactions on the conductance of
graphene nanoribbons. Phys. Rev. B 82:205422-1-9
50. Tsuji Y, Estrada E (2019) Influence of long-range interactions on quantum interference in
molecular conduction. A tight-binding (Hückel) approach. J. Chem. Phys. 150:204123-1-13
51. Hall GG (1955) The bond orders of alternant hydrocarbon molecules. Proc R Soc Lond
229:251–259
52. Pople JA, Hush NS (1955) Ionization potentials and electron affinities of conjugated
hydrocarbon molecules and radicals. Trans Faraday Soc 51:600–605
53. MacLachlan AD (1961) Electrons and holes in alternant hydrocarbons. Mol Phys 4:49–56
54. Pople JA (1953) Electron interaction in unsaturated hydrocarbons. Trans araday Soc 49:1375–
1385