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240. Stavitski E, de Groot FM (2010) Micron 41:687
241. Ikeno H, Mizoguchi T, Tanaka I (2011) Phys Rev B 83:155107-1
242. Haverkort MW, Zwierzycki M, Andersen OK (2012) Phys Rev B 85:165113
243. Bagus PS, Freund H, Kuhlenbeck H, Ilton ES (2008) Chem Phys Lett 455:331
244. Moemelt M, Maganas D, DeBeer S, Neese F (2013) J Chem Phys 138:204101
245. Maganas D, Roemelt M, Weyhermu ¨ller T, Blume R, Ha ¨vecker M, Knop-Gericke A,
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Chem Soc 132:6809
248. Huse N, Cho H, Hong K, Jamula L, de Groot FMF, Kim TK, McCusker JK, Schoenlein RW
(2011) J Phys Chem Lett 2:880
249. Cho H, Strader ML, Hong K, Jamula L, Gullikson EM, Kim TK, de Groot FMF, McCusker
JK, Schoenlein RW, Huse N (2012) Faraday Discuss 157:463
250. Arneberg R, Ågren H, Mu ¨ller J, Manne R (1982) Chem Phys Lett 91:362
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253. Ågren H, Arneberg R, Mu ¨ller J, Manne R (1984) Chem Phys 83:53
254. Maganas D, Kristiansen P, Duda LC, Knop-Gericke A, DeBeer S, Schl€ ogl R, Neese F (2014)
J Phys Chem C 118:20163
255. Nooijen M, Bartlett RJ (1995) J Chem Phys 102(17):6735
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257. Brabec J, Bhaskaran-Nair K, Govind N, Pittner J, Kowalski K (2012) J Chem Phys 137(17):
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258. Kuramoto K, Ehara M, Nakatsuji H (2005) J Chem Phys 122(1):014304
259. Ohtsuka Y, Nakatsuji H (2006) J Chem Phys 124(5):054110
260. Perdew JP (1981) Phys Rev B 23(10):5048
261. Imamura Y, Nakai H (2006) Int J Quantum Chem 107(1):23
262. Tu G, Rinkevicius Z, Vahtras O, Ågren H, Ekstr€ om U, Norman P, Carravetta V (2007) Phys
Rev A 76(2):022506
263. Tawada Y, Tsuneda T, Yanagisawa S, Yanai T, Hirao K (2004) J Chem Phys 120(18):8425
264. Yanai T, Tew DP, Handy NC (2004) Chem Phys Lett 393(1–3):51
265. Peach MJG, Cohen AJ, Tozer DJ (2006) Phys Chem Chem Phys 8(39):4543
266. Chai JD, Head-Gordon M (2008) J Chem Phys 128(8):084106
267. Chai JD, Head-Gordon M (2008) Chem Phys Lett 467(1–3):176
268. Rohrdanz MA, Martins KM, Herbert JM (2009) J Chem Phys 130(5):054112
269. Toulouse J, Zhu W, A ´ ngya ´n JG, Savin A (2010) Phys Rev A 82(3)
270. Irelan RM, Henderson TM, Scuseria GE (2011) J Chem Phys 135(9):094105
271. Song JW, Peng D, Hirao K (2011) J Comput Chem 32(15):3269
272. Hermet J, Cortona P, Adamo C (2012) Chem Phys Lett 519–520:145
273. Refaely-Abramson S, Sharifzadeh S, Govind N, Autschbach J, Neaton JB, Baer R, Kronik L
(2012) Phys Rev Lett 109(22)
274. Seth M, Ziegler T (2012) J Chem Theory Comput 8(3):901
275. Modrzejewski M, Chałasn ´ski G, Szcze ¸n ´iak MM (2014) J Chem Theory Comput 10(10):4297
276. Mardirossian N, Head-Gordon M (2014) Phys Chem Chem Phys 16(21):9904
277. Tsuneda T, Hirao K (2014) Wiley Interdiscip Rev Comput Mol Sci 4(4):375
278. Song JW, Watson MA, Nakata A, Hirao K (2008) J Chem Phys 129(18):184113
279. Besley NA, Peach MJG, Tozer DJ (2009) Phys Chem Chem Phys 11(44):10350
342
Y. Zhang et al.
236. Wenzel J, Wormit M, Dreuw A (2014) J Comput Chem 35(26):1900
237. Kuleff AI, Cederbaum LS (2007) Phys Rev Lett 98:083201
238. Dutoi AD, Cederbaum LS, Wormit M, Starcke JH, Dreuw A (2010) J Chem Phys 132:144302
239. de Groot FMF, Fuggle JC, Thole BT, Sawatzky GA (1990) Phys Rev B 42:5459
240. Stavitski E, de Groot FM (2010) Micron 41:687
241. Ikeno H, Mizoguchi T, Tanaka I (2011) Phys Rev B 83:155107-1
242. Haverkort MW, Zwierzycki M, Andersen OK (2012) Phys Rev B 85:165113
243. Bagus PS, Freund H, Kuhlenbeck H, Ilton ES (2008) Chem Phys Lett 455:331
244. Moemelt M, Maganas D, DeBeer S, Neese F (2013) J Chem Phys 138:204101
245. Maganas D, Roemelt M, Weyhermu ¨ller T, Blume R, Ha ¨vecker M, Knop-Gericke A,
DeBeer S, Schl€ ogl R, Neese F (2014) Phys Chem Chem Phys 16(1):264
246. Hua W, Tian G, Fronzoni G, Li X, Stener M, Luo Y (2013) J Phys Chem A 117:14075
247. Huse N, Kim TK, Jamula L, McCusker JK, de Groot FMF, Schoenlein RW (2010) J Am
Chem Soc 132:6809
248. Huse N, Cho H, Hong K, Jamula L, de Groot FMF, Kim TK, McCusker JK, Schoenlein RW
(2011) J Phys Chem Lett 2:880
249. Cho H, Strader ML, Hong K, Jamula L, Gullikson EM, Kim TK, de Groot FMF, McCusker
JK, Schoenlein RW, Huse N (2012) Faraday Discuss 157:463
250. Arneberg R, Ågren H, Mu ¨ller J, Manne R (1982) Chem Phys Lett 91:362
251. Ågren H, Arneberg R (1984) Phys Scr 30:55
252. Ågren H, Arneberg R (1983) Phys Scr 28:80
253. Ågren H, Arneberg R, Mu ¨ller J, Manne R (1984) Chem Phys 83:53
254. Maganas D, Kristiansen P, Duda LC, Knop-Gericke A, DeBeer S, Schl€ ogl R, Neese F (2014)
J Phys Chem C 118:20163
255. Nooijen M, Bartlett RJ (1995) J Chem Phys 102(17):6735
256. Besley NA (2012) Chem Phys 542:42
257. Brabec J, Bhaskaran-Nair K, Govind N, Pittner J, Kowalski K (2012) J Chem Phys 137(17):
171101
258. Kuramoto K, Ehara M, Nakatsuji H (2005) J Chem Phys 122(1):014304
259. Ohtsuka Y, Nakatsuji H (2006) J Chem Phys 124(5):054110
260. Perdew JP (1981) Phys Rev B 23(10):5048
261. Imamura Y, Nakai H (2006) Int J Quantum Chem 107(1):23
262. Tu G, Rinkevicius Z, Vahtras O, Ågren H, Ekstr€ om U, Norman P, Carravetta V (2007) Phys
Rev A 76(2):022506
263. Tawada Y, Tsuneda T, Yanagisawa S, Yanai T, Hirao K (2004) J Chem Phys 120(18):8425
264. Yanai T, Tew DP, Handy NC (2004) Chem Phys Lett 393(1–3):51
265. Peach MJG, Cohen AJ, Tozer DJ (2006) Phys Chem Chem Phys 8(39):4543
266. Chai JD, Head-Gordon M (2008) J Chem Phys 128(8):084106
267. Chai JD, Head-Gordon M (2008) Chem Phys Lett 467(1–3):176
268. Rohrdanz MA, Martins KM, Herbert JM (2009) J Chem Phys 130(5):054112
269. Toulouse J, Zhu W, A ´ ngya ´n JG, Savin A (2010) Phys Rev A 82(3)
270. Irelan RM, Henderson TM, Scuseria GE (2011) J Chem Phys 135(9):094105
271. Song JW, Peng D, Hirao K (2011) J Comput Chem 32(15):3269
272. Hermet J, Cortona P, Adamo C (2012) Chem Phys Lett 519–520:145
273. Refaely-Abramson S, Sharifzadeh S, Govind N, Autschbach J, Neaton JB, Baer R, Kronik L
(2012) Phys Rev Lett 109(22)
274. Seth M, Ziegler T (2012) J Chem Theory Comput 8(3):901
275. Modrzejewski M, Chałasn ´ski G, Szcze ¸n ´iak MM (2014) J Chem Theory Comput 10(10):4297
276. Mardirossian N, Head-Gordon M (2014) Phys Chem Chem Phys 16(21):9904
277. Tsuneda T, Hirao K (2014) Wiley Interdiscip Rev Comput Mol Sci 4(4):375
278. Song JW, Watson MA, Nakata A, Hirao K (2008) J Chem Phys 129(18):184113
279. Besley NA, Peach MJG, Tozer DJ (2009) Phys Chem Chem Phys 11(44):10350
342
Y. Zhang et al.