The Genkin-Mednis approach to the longitudinal polarizability of infinite polymer chains is revisited. It is shown that the correction of a small error in the formula for the dipole oscillator strength brings that quantity to a manifestly antihermitian form and leads to greater consistency in the computation of related quantities.
REFERENCES
1.
2.
D.
Vanderbilt
and R. D.
King-Smith
, Phys. Rev. B
43
, 4442
(1993
).3.
R.
Resta
, Rev. Mod. Phys.
66
, 899
(1994
).4.
K. N.
Kudin
, R.
Car
, and R.
Resta
, J. Chem. Phys.
126
, 234101
(2007
).5.
B.
Kirtman
, F. L.
Gu
, and D. M.
Bishop
, J. Chem. Phys.
113
, 1294
(2000
).6.
D. M.
Bishop
, F. L.
Gu
, and B.
Kirtman
, J. Chem. Phys.
114
, 7633
(2001
).7.
M.
Springborg
and B.
Kirtman
, J. Chem. Phys.
126
, 104107
(2007
).8.
M.
Springborg
and B.
Kirtman
, Phys. Rev. B
77
, 045102
(2008
).9.
M.
Springborg
, V.
Tevekeliyska
, and B.
Kirtman
, Phys. Rev. B
82
, 165442
(2010
).10.
M.
Springborg
and B.
Kirtman
, Theor. Chem. Acc.
130
, 687
(2011
).11.
12.
C.
Barbier
, Chem. Phys. Lett.
142
, 53
(1987
).13.
C.
Barbier
, J.
Delhalle
, and J.-M.
André
, J. Mol. Struct. (Theochem)
188
, 299
(1989
).14.
B.
Champagne
and J.-M.
André
, Int. J. Quantum Chem.
42
, 1009
(1992
).15.
L.
Ducasse
, A.
Villesuzanne
, J.
Hoarau
, and A.
Fritsch
, J. Chem. Phys.
97
, 9389
(1992
).© 2015 AIP Publishing LLC.
2015
AIP Publishing LLC
You do not currently have access to this content.