52. Illas F, Moreira IDPR, Bofill JM, Filatov M (2004) Phys Rev B 70:132414
53. Illas F, Moreira IDPR, Bofill JM, Filatov M (2006) Theor Chem Acc 116:587
54. Kazaryan A, Kistemaker JCM, Scha ¨fer LV, Browne WR, Feringa BL, Filatov M (2010)
J Phys Chem A 114:5058
55. Filatov M (2011) ChemPhysChem 12:3348
56. Filatov M (2011) Phys Chem Chem Phys 13:12328
57. Filatov M (2011) Phys Chem Chem Phys 13:144
58. Kazaryan A, Lan Z, Scha ¨fer LV, Thiel W, Filatov M (2011) J Chem Theory Comput 7:2189
59. Filatov M, Huix-Rotllant M (2014) J Chem Phys 141:024112
60. Gozem S, Melaccio F, Valentini A, Filatov M, Huix-Rotllant M, Ferre ´ N, Frutos LM, Angeli C,
Krylov AI, Granovsky AA, Lindh R, Olivucci M (2014) J Chem Theory Comput 10:3074
61. Filatov M, Olivucci M (2014) J Org Chem 79:3587
62. Zhao Q, Morrison RC, Parr RG (1994) Phys Rev A 50:2138
63. Sinanoglǔ O (1964) Adv Chem Phys 6:315
64. Giesbertz KJH, Baerends EJ (2010) J Chem Phys 132:194108
65. Kohn W (1986) Phys Rev A 34:737
66. Andrejkovics I, Nagy A ´ (1998) Chem Phys Lett 296:489
67. Paragi G, Gye ´ma ´nt IK, Van Doren VE (2000) Chem Phys Lett 324:440
68. Paragi G, Gye ´ma ´nt IK, Van Doren VE (2001) J Mol Struct Theochem 571:153
69. Nozie ´res P, Pines D (1966) The theory of quantum liquids. Perseus Books Publishing LLC,
Cambridge
70. Becke AD (1988) J Chem Phys 88:1053
71. Wang SG, Schwarz WHE (1996) J Chem Phys 105:4641
72. Csa ´nyi G, Arias T (2000) Phys Rev B 61:7348
73. Filatov M (2015) WIREs Comput Mol Sci 5:146
74. Lathiotakis NN, Helbig N, Rubio A, Gidopoulos NI (2014) Phys Rev A 90:032511
75. Fernandez JJ, Kollmar C, Filatov M (2010) Phys Rev A 82:022508
76. Farid B (1998) J Phys Condens Matter 10:L1
77. Hirao K, Nakatsuji H (1973) J Chem Phys 59:1457
78. Hoffmann R, Woodward RB (1965) J Am Chem Soc 87:395
79. Hoffmann R, Woodward RB (1965) J Am Chem Soc 87:2046
80. Woodward RB, Hoffmann R (1969) Angew Chem Int Ed 8:781
81. Vydrov OA, Heyd J, Krukau A, Scuseria GE (2006) J Chem Phys 125:074106
82. Vydrov OA, Scuseria GE (2006) J Chem Phys 125:234109
83. Vydrov OA, Scuseria GE, Perdew JP (2007) J Chem Phys 126:154109
84. Coulson CA, Fischer I (1949) Philos Mag 40:386
85. Kolos W, Wolniewicz L (1965) J Chem Phys 43:2429
86. Van Meer R, Gritsenko OV, Baerends EJ (2014) J Chem Phys 140:024101
87. Schirmer J (1982) Phys Rev A 26:2395
88. Schirmer J, Trofimov AB (1995) J Phys B At Mol Opt Phys 28:2299
89. Trofimov AB, Stelter G, Schirmer J (1999) J Chem Phys 111:9982
90. Trofimov AB, Stelter G, Schirmer J (2002) J Chem Phys 117:6402
91. Schirmer J, Trofimov AB (2004) J Chem Phys 120:11449
92. Silva-Junior MR, Schreiber M, Sauer SPA, Thiel W (2008) J Chem Phys 129:104103
93. T€ onshoff C, Bettinger HF (2010) Angew Chem Int Ed 49:4125
94. Plasser F, Pas ˇalic ´ H, Gerzabek MH, Libisch F, Reiter R, Burgd€ orfer J, Mu ¨ller T, Shepard R,
Lischka H (2013) Angew Chem Int Ed 52:2581
95. Nikiforov A, Gamez JA, Thiel W, Huix-Rotllant M, Filatov M (2014) J Chem Phys 141:
124122
96. Send R, Valsson O, Filippi C (2011) J Chem Theory Comput 7:444
97. Jacquemin D, Zhao Y, Valero R, Adamo C, Ciofini I, Truhlar DG (2012) J Chem Theory
Comput 8:1255
98. Moore B II, Autschbach J (2013) J Chem Theory Comput 9:4991
Ensemble DFT Approach to Excited States of Strongly Correlated Molecular Systems
123
53. Illas F, Moreira IDPR, Bofill JM, Filatov M (2006) Theor Chem Acc 116:587
54. Kazaryan A, Kistemaker JCM, Scha ¨fer LV, Browne WR, Feringa BL, Filatov M (2010)
J Phys Chem A 114:5058
55. Filatov M (2011) ChemPhysChem 12:3348
56. Filatov M (2011) Phys Chem Chem Phys 13:12328
57. Filatov M (2011) Phys Chem Chem Phys 13:144
58. Kazaryan A, Lan Z, Scha ¨fer LV, Thiel W, Filatov M (2011) J Chem Theory Comput 7:2189
59. Filatov M, Huix-Rotllant M (2014) J Chem Phys 141:024112
60. Gozem S, Melaccio F, Valentini A, Filatov M, Huix-Rotllant M, Ferre ´ N, Frutos LM, Angeli C,
Krylov AI, Granovsky AA, Lindh R, Olivucci M (2014) J Chem Theory Comput 10:3074
61. Filatov M, Olivucci M (2014) J Org Chem 79:3587
62. Zhao Q, Morrison RC, Parr RG (1994) Phys Rev A 50:2138
63. Sinanoglǔ O (1964) Adv Chem Phys 6:315
64. Giesbertz KJH, Baerends EJ (2010) J Chem Phys 132:194108
65. Kohn W (1986) Phys Rev A 34:737
66. Andrejkovics I, Nagy A ´ (1998) Chem Phys Lett 296:489
67. Paragi G, Gye ´ma ´nt IK, Van Doren VE (2000) Chem Phys Lett 324:440
68. Paragi G, Gye ´ma ´nt IK, Van Doren VE (2001) J Mol Struct Theochem 571:153
69. Nozie ´res P, Pines D (1966) The theory of quantum liquids. Perseus Books Publishing LLC,
Cambridge
70. Becke AD (1988) J Chem Phys 88:1053
71. Wang SG, Schwarz WHE (1996) J Chem Phys 105:4641
72. Csa ´nyi G, Arias T (2000) Phys Rev B 61:7348
73. Filatov M (2015) WIREs Comput Mol Sci 5:146
74. Lathiotakis NN, Helbig N, Rubio A, Gidopoulos NI (2014) Phys Rev A 90:032511
75. Fernandez JJ, Kollmar C, Filatov M (2010) Phys Rev A 82:022508
76. Farid B (1998) J Phys Condens Matter 10:L1
77. Hirao K, Nakatsuji H (1973) J Chem Phys 59:1457
78. Hoffmann R, Woodward RB (1965) J Am Chem Soc 87:395
79. Hoffmann R, Woodward RB (1965) J Am Chem Soc 87:2046
80. Woodward RB, Hoffmann R (1969) Angew Chem Int Ed 8:781
81. Vydrov OA, Heyd J, Krukau A, Scuseria GE (2006) J Chem Phys 125:074106
82. Vydrov OA, Scuseria GE (2006) J Chem Phys 125:234109
83. Vydrov OA, Scuseria GE, Perdew JP (2007) J Chem Phys 126:154109
84. Coulson CA, Fischer I (1949) Philos Mag 40:386
85. Kolos W, Wolniewicz L (1965) J Chem Phys 43:2429
86. Van Meer R, Gritsenko OV, Baerends EJ (2014) J Chem Phys 140:024101
87. Schirmer J (1982) Phys Rev A 26:2395
88. Schirmer J, Trofimov AB (1995) J Phys B At Mol Opt Phys 28:2299
89. Trofimov AB, Stelter G, Schirmer J (1999) J Chem Phys 111:9982
90. Trofimov AB, Stelter G, Schirmer J (2002) J Chem Phys 117:6402
91. Schirmer J, Trofimov AB (2004) J Chem Phys 120:11449
92. Silva-Junior MR, Schreiber M, Sauer SPA, Thiel W (2008) J Chem Phys 129:104103
93. T€ onshoff C, Bettinger HF (2010) Angew Chem Int Ed 49:4125
94. Plasser F, Pas ˇalic ´ H, Gerzabek MH, Libisch F, Reiter R, Burgd€ orfer J, Mu ¨ller T, Shepard R,
Lischka H (2013) Angew Chem Int Ed 52:2581
95. Nikiforov A, Gamez JA, Thiel W, Huix-Rotllant M, Filatov M (2014) J Chem Phys 141:
124122
96. Send R, Valsson O, Filippi C (2011) J Chem Theory Comput 7:444
97. Jacquemin D, Zhao Y, Valero R, Adamo C, Ciofini I, Truhlar DG (2012) J Chem Theory
Comput 8:1255
98. Moore B II, Autschbach J (2013) J Chem Theory Comput 9:4991
Ensemble DFT Approach to Excited States of Strongly Correlated Molecular Systems
123