3 Local Dielectric Constant Density Analysis of High-k Dielectric Nanomaterial
87
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30. W.J. Hehre, R. Ditchfield, J.A. Pople, J. Chem. Phys. 56, 2257 (1972)
31. P.C. Hariharan, J.A. Pople, Theoret. Chim. Acta 28, 213 (1973)
32. T. Clark, J. Chandrasekhar, G.W. Spitznagel, P.V.R. Schleyer, J. Comput. Chem. 4, 294 (1983)
33. R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72, 650 (1980)
34. T.H. Dunning Jr., J. Chem. Phys. 90, 1007 (1989)
35. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 270 (1985)
36. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 284 (1985)
37. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 299 (1985)
38. L.E. Roy, P.J. Hay, R.L. Martin, J. Chem. Theory Comput. 4, 1029 (2008)
39. F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005)
40. D. Andrae, U. Haeussermann, M. Dolg, H. Stoll, H. Preuss, Theoret. Chim. Acta 77, 123 (1990)
41. D. Figgen, K.A. Peterson, M. Dolg, H. Stoll, J. Chem. Phys. 130, 164108 (2009)
42. M.W. Schmidt, K.K. Badridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki,
N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput.
Chem. 14, 1347 (1993)
43. D.E. Woon, T.H. Dunning Jr., J. Chem. Phys. 98, 1358 (1993)
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46. Z.H. Levine, D.C. Allan, Phys. Rev. B 43, 4187 (1991)
47. Z.H. Levine, D.C. Allan, Phys. Rev. B 44, 12781 (1991)
48. Z.H. Levine, D.C. Allan, Phys. Rev. Lett. 63, 1719 (1989)
49. Z.H. Levine, D.C. Allan, Phys. Rev. Lett. 66, 41 (1991)
50. M. Senami, K. Ichikawa, A. Tachibana, QEDynamics (2018). https://github.com/mfukuda
QED/QEDalpha
51. M. Senami, T. Miyazato, S. Takada, Y. Ikeda, A. Tachibana, J. Phys. Conf. Ser. 454, 012052
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52. K. Ichikawa, M. Fukuda, A. Tachibana, Int. J. Quant. Chem. 113, 190 (2013)
53. K. Ichikawa, M. Fukuda, A. Tachibana, Int. J. Quant. Chem. 114, 1567 (2014)
54. M. Senami, S. Takada, A. Tachibana, JPS Conf. Proc. 1, 016014 (2014)
55. M. Fukuda, K. Naito, K. Ichikawa, A. Tachibana, Int. J. Quant. Chem. 116, 932 (2016)
56. P. Pyykkö, M. Atsumi, Chem. Eur. J. 15, 186 (2009)
57. Y. Yamamoto, K. Kita, K. Kyuno, A. Toriumi, Appl. Phys. Lett. 89, 032903 (2006)
58. K. Momma, F. Izumi, VESTA 3 for three-dimensional visualization of crystal, volumetric and
morphology data. J. Appl. Crystallogr. 44, 1272–1276 (2011)
59. C.H. Dunning Jr., P.J. Hay, in Modern Theoretical Chemistry, ed. H.F. Schaefer III (Plenum,
New York, 1976)
60. K. Doi, Y. Mikazuki, S. Sugino, T. Doi, P. Szarek, M. Senami, K. Shiraishi, H. Iwai, N.
Umezawa, T. Chikyo, K. Yamada, A. Tachibana, Jpn. J. Appl. Phys. 47, 205 (2008)
61. I. Montvay, C. Münster, Quantum Field on a Lattice (Cambridge University Press, Cambridge,
1997)
62. W.E. Caswell, G.P. Lepage, Phys. Lett. 167B, 437 (1996)
63. J. Berges, AIP Conf. Proc. 739, 3 (2005)
64. F. Hebenstreit, J. Berges, D. Gelfand, Phys. Rev. D87, 105006 (2013) and references there’s in
65. U.D. Jentschura, Can. J. Phys. 89, 109 (2011)
66. U.D. Jentschura, J. Evers, Can. J. Phys. 83, 375 (2005)
67. K.D. Lamb, C.C. Gerry, Q. Su, R. Grobe Phys. Rev. A 75, 013425 (2007)
68. R.E. Wagner, M.R. Ware, B.T. Shields, Q. Su, R. Grobe, Phys. Rev. Lett. 106, 023601 (2011)
69. R.E. Wagner, Q. Su, R. Grobe, Phys. Rev. A 88, 012113 (2013) and references there’s in
87
29. M.J. Frisch et al., Gaussian 09, Revision B. 01 (Gaussian Inc., Wallingford, 2010)
30. W.J. Hehre, R. Ditchfield, J.A. Pople, J. Chem. Phys. 56, 2257 (1972)
31. P.C. Hariharan, J.A. Pople, Theoret. Chim. Acta 28, 213 (1973)
32. T. Clark, J. Chandrasekhar, G.W. Spitznagel, P.V.R. Schleyer, J. Comput. Chem. 4, 294 (1983)
33. R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72, 650 (1980)
34. T.H. Dunning Jr., J. Chem. Phys. 90, 1007 (1989)
35. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 270 (1985)
36. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 284 (1985)
37. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 299 (1985)
38. L.E. Roy, P.J. Hay, R.L. Martin, J. Chem. Theory Comput. 4, 1029 (2008)
39. F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005)
40. D. Andrae, U. Haeussermann, M. Dolg, H. Stoll, H. Preuss, Theoret. Chim. Acta 77, 123 (1990)
41. D. Figgen, K.A. Peterson, M. Dolg, H. Stoll, J. Chem. Phys. 130, 164108 (2009)
42. M.W. Schmidt, K.K. Badridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki,
N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput.
Chem. 14, 1347 (1993)
43. D.E. Woon, T.H. Dunning Jr., J. Chem. Phys. 98, 1358 (1993)
44. A.K. Wilson, D.E. Woon, K.A. Peterson, T.H. Dunning Jr., J. Chem. Phys. 110, 7667 (1999)
45. S. Baroni, R. Resta, Phys. Rev. B 33, 7017 (1988)
46. Z.H. Levine, D.C. Allan, Phys. Rev. B 43, 4187 (1991)
47. Z.H. Levine, D.C. Allan, Phys. Rev. B 44, 12781 (1991)
48. Z.H. Levine, D.C. Allan, Phys. Rev. Lett. 63, 1719 (1989)
49. Z.H. Levine, D.C. Allan, Phys. Rev. Lett. 66, 41 (1991)
50. M. Senami, K. Ichikawa, A. Tachibana, QEDynamics (2018). https://github.com/mfukuda
QED/QEDalpha
51. M. Senami, T. Miyazato, S. Takada, Y. Ikeda, A. Tachibana, J. Phys. Conf. Ser. 454, 012052
(2013)
52. K. Ichikawa, M. Fukuda, A. Tachibana, Int. J. Quant. Chem. 113, 190 (2013)
53. K. Ichikawa, M. Fukuda, A. Tachibana, Int. J. Quant. Chem. 114, 1567 (2014)
54. M. Senami, S. Takada, A. Tachibana, JPS Conf. Proc. 1, 016014 (2014)
55. M. Fukuda, K. Naito, K. Ichikawa, A. Tachibana, Int. J. Quant. Chem. 116, 932 (2016)
56. P. Pyykkö, M. Atsumi, Chem. Eur. J. 15, 186 (2009)
57. Y. Yamamoto, K. Kita, K. Kyuno, A. Toriumi, Appl. Phys. Lett. 89, 032903 (2006)
58. K. Momma, F. Izumi, VESTA 3 for three-dimensional visualization of crystal, volumetric and
morphology data. J. Appl. Crystallogr. 44, 1272–1276 (2011)
59. C.H. Dunning Jr., P.J. Hay, in Modern Theoretical Chemistry, ed. H.F. Schaefer III (Plenum,
New York, 1976)
60. K. Doi, Y. Mikazuki, S. Sugino, T. Doi, P. Szarek, M. Senami, K. Shiraishi, H. Iwai, N.
Umezawa, T. Chikyo, K. Yamada, A. Tachibana, Jpn. J. Appl. Phys. 47, 205 (2008)
61. I. Montvay, C. Münster, Quantum Field on a Lattice (Cambridge University Press, Cambridge,
1997)
62. W.E. Caswell, G.P. Lepage, Phys. Lett. 167B, 437 (1996)
63. J. Berges, AIP Conf. Proc. 739, 3 (2005)
64. F. Hebenstreit, J. Berges, D. Gelfand, Phys. Rev. D87, 105006 (2013) and references there’s in
65. U.D. Jentschura, Can. J. Phys. 89, 109 (2011)
66. U.D. Jentschura, J. Evers, Can. J. Phys. 83, 375 (2005)
67. K.D. Lamb, C.C. Gerry, Q. Su, R. Grobe Phys. Rev. A 75, 013425 (2007)
68. R.E. Wagner, M.R. Ware, B.T. Shields, Q. Su, R. Grobe, Phys. Rev. Lett. 106, 023601 (2011)
69. R.E. Wagner, Q. Su, R. Grobe, Phys. Rev. A 88, 012113 (2013) and references there’s in