74. Levine ZH, Allan DC (1989) Phys Rev Lett 63:1719
75. Del Sole R, Girlanda R (1993) Phys Rev B 48:11789
76. Fuchs F, R€ odl C, Schleife A, Bechstedt F (2008) Phys Rev B 78:085103
77. Erhart P, Schleife A, Sadigh B, Åberg D (2014) Phys Rev B 89:075132
78. Casida ME (1995) Recent advances in density functional methods. In: Chong DE (ed) Recent
advances in computational chemistry, vol 1. World Scientific, Singapore, p 155
79. Gurtubay IG, Pitarke JM, Ku W, Eguiluz AG, Larson BC, Tischler J, Zschack P, Finkelstein
KD (2005) Phys Rev B 72:125117
80. Tozer DJ, Amos RD, Handy NC, Roos BO, Serrano-Andre ´s L (1999) Mol Phys 97:859
81. Tozer DJ (2003) J Chem Phys 119:12697
82. Casida ME, Gutierrez F, Guan J, Gadea F-X, Salahub D, Daudey J-P (2000) J Chem Phys
113:7062
83. Dreuw A, Weisman JL, Head-Gordon M (2003) J Chem Phys 119:2943
84. Dreuw A, Head-Gordon M (2004) J Am Chem Soc 126:4007
85. Gritsenko O, Baerends EJ (2004) J Chem Phys 121:655
86. Autschbach J (2009) Chemphyschem 10:1757
87. Gonze X, Ghosez P, Godby RW (1995) Phys Rev Lett 74:4035
88. Ghosez P, Gonze X, Godby RW (1997) Phys Rev B 56:12811
89. Reining L, Olevano V, Rubio A, Onida G (2002) Phys Rev Lett 88:066404
90. Sottile F, Olevano V, Reining L (2003) Phys Rev Lett 91:056402
91. Stubner R, Tokatly IV, Pankratov O (2004) Phys Rev B 70:245119
92. Sottile F, Karlsson K, Reining L, Aryasetiawan F (2003) Phys Rev B 68:205112
93. Tokatly IV, Pankratov O (2001) Phys Rev Lett 86:2078
94. Tokatly IV, Stubner R, Pankratov O (2002) Phys Rev B 65:113107
95. Hellgren M, von Barth U (2008) Phys Rev B 78:115107
96. Hellgren M, von Barth U (2009) J Chem Phys 131:044110
97. Talman JD, Shadwick WF (1976) Phys Rev A 14:36
98. G€ orling A (1998) Phys Rev A 57:3433
99. G€ orling A (1998) Int J Quant Chem 69:265
100. Kim Y-H, G€ orling A (2002) Phys Rev B 66:035114
101. Kim Y-H, G€ orling A (2002) Phys Rev Lett 89:096402
102. Bruneval F, Sottile F, Olevano V, Reining L (2006) J Chem Phys 124:144113
103. Izmaylov A, Scuseria GE (2008) J Chem Phys 129:034101
104. Bernasconi L, Tomic ´ S, Ferrero M, Re ´rat M, Orlando R, Dovesi R, Harrison NM (2011) Phys
Rev B 83:195325
105. Bernasconi L, Webster R, Tomic ´ S, Harrison NM (2012) J Phys Conf Ser 367:012001
106. Tomic ´ S, Bernasconi L, Searle BG, Harrison NM (2014) J Phys Chem C 118:14478
107. Yang ZH, Sottile F, Ullrich CA, arXiv:1501.05631
108. Yanai T, Tew DP, Handy NC (2004) Chem Phys Lett 393:51
109. Vydrov OA, Scuseria GE (2006) J Chem Phys 125:234109
110. Heyd J, Scuseria GE, Ernzerhof M (2006) J Chem Phys 124:219906
111. Paier J, Marsman M, Kresse G (2008) Phys Rev B 78:121201 (R)
112. Tao JM, Perdew JP, Staroverov VN, Scuseria GE (2003) Phys Rev Lett 91:146401
113. Voorhis TV, Scuseria GE (1998) J Chem Phys 109:400
114. Voorhis TV, Scuseria GE (2008) J Chem Phys 129:219901
115. Becke AD, Johnson ER (2006) J Chem Phys 124:221101
116. Nazarov VU, Vignale G (2011) Phys Rev Lett 107:216402
117. Petersilka M, Gossmann UJ, Gross EKU (1996) Phys Rev Lett 76:1212
118. Petersilka M, Gossmann UJ, Gross EKU (1998) In: Dobson JF, Vignale G, Das MP (eds)
Electronic density functional theory: recent progress and new directions. Plenum, New York,
p 177
119. Karimi S, Ullrich CA (2014) Phys Rev B 90:245304
120. Kohn W (1959) Phys Rev 115:809
216
C.A. Ullrich and Z.-h. Yang
75. Del Sole R, Girlanda R (1993) Phys Rev B 48:11789
76. Fuchs F, R€ odl C, Schleife A, Bechstedt F (2008) Phys Rev B 78:085103
77. Erhart P, Schleife A, Sadigh B, Åberg D (2014) Phys Rev B 89:075132
78. Casida ME (1995) Recent advances in density functional methods. In: Chong DE (ed) Recent
advances in computational chemistry, vol 1. World Scientific, Singapore, p 155
79. Gurtubay IG, Pitarke JM, Ku W, Eguiluz AG, Larson BC, Tischler J, Zschack P, Finkelstein
KD (2005) Phys Rev B 72:125117
80. Tozer DJ, Amos RD, Handy NC, Roos BO, Serrano-Andre ´s L (1999) Mol Phys 97:859
81. Tozer DJ (2003) J Chem Phys 119:12697
82. Casida ME, Gutierrez F, Guan J, Gadea F-X, Salahub D, Daudey J-P (2000) J Chem Phys
113:7062
83. Dreuw A, Weisman JL, Head-Gordon M (2003) J Chem Phys 119:2943
84. Dreuw A, Head-Gordon M (2004) J Am Chem Soc 126:4007
85. Gritsenko O, Baerends EJ (2004) J Chem Phys 121:655
86. Autschbach J (2009) Chemphyschem 10:1757
87. Gonze X, Ghosez P, Godby RW (1995) Phys Rev Lett 74:4035
88. Ghosez P, Gonze X, Godby RW (1997) Phys Rev B 56:12811
89. Reining L, Olevano V, Rubio A, Onida G (2002) Phys Rev Lett 88:066404
90. Sottile F, Olevano V, Reining L (2003) Phys Rev Lett 91:056402
91. Stubner R, Tokatly IV, Pankratov O (2004) Phys Rev B 70:245119
92. Sottile F, Karlsson K, Reining L, Aryasetiawan F (2003) Phys Rev B 68:205112
93. Tokatly IV, Pankratov O (2001) Phys Rev Lett 86:2078
94. Tokatly IV, Stubner R, Pankratov O (2002) Phys Rev B 65:113107
95. Hellgren M, von Barth U (2008) Phys Rev B 78:115107
96. Hellgren M, von Barth U (2009) J Chem Phys 131:044110
97. Talman JD, Shadwick WF (1976) Phys Rev A 14:36
98. G€ orling A (1998) Phys Rev A 57:3433
99. G€ orling A (1998) Int J Quant Chem 69:265
100. Kim Y-H, G€ orling A (2002) Phys Rev B 66:035114
101. Kim Y-H, G€ orling A (2002) Phys Rev Lett 89:096402
102. Bruneval F, Sottile F, Olevano V, Reining L (2006) J Chem Phys 124:144113
103. Izmaylov A, Scuseria GE (2008) J Chem Phys 129:034101
104. Bernasconi L, Tomic ´ S, Ferrero M, Re ´rat M, Orlando R, Dovesi R, Harrison NM (2011) Phys
Rev B 83:195325
105. Bernasconi L, Webster R, Tomic ´ S, Harrison NM (2012) J Phys Conf Ser 367:012001
106. Tomic ´ S, Bernasconi L, Searle BG, Harrison NM (2014) J Phys Chem C 118:14478
107. Yang ZH, Sottile F, Ullrich CA, arXiv:1501.05631
108. Yanai T, Tew DP, Handy NC (2004) Chem Phys Lett 393:51
109. Vydrov OA, Scuseria GE (2006) J Chem Phys 125:234109
110. Heyd J, Scuseria GE, Ernzerhof M (2006) J Chem Phys 124:219906
111. Paier J, Marsman M, Kresse G (2008) Phys Rev B 78:121201 (R)
112. Tao JM, Perdew JP, Staroverov VN, Scuseria GE (2003) Phys Rev Lett 91:146401
113. Voorhis TV, Scuseria GE (1998) J Chem Phys 109:400
114. Voorhis TV, Scuseria GE (2008) J Chem Phys 129:219901
115. Becke AD, Johnson ER (2006) J Chem Phys 124:221101
116. Nazarov VU, Vignale G (2011) Phys Rev Lett 107:216402
117. Petersilka M, Gossmann UJ, Gross EKU (1996) Phys Rev Lett 76:1212
118. Petersilka M, Gossmann UJ, Gross EKU (1998) In: Dobson JF, Vignale G, Das MP (eds)
Electronic density functional theory: recent progress and new directions. Plenum, New York,
p 177
119. Karimi S, Ullrich CA (2014) Phys Rev B 90:245304
120. Kohn W (1959) Phys Rev 115:809
216
C.A. Ullrich and Z.-h. Yang