Current Problems in Computer Simulation of Variability …
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24. Baerends EJ, Ziegler T, Atkins AJ, Autschbach J, Baseggio O, Bashford D, Bérces A, Bickelhaupt FM, Bo C, Boerrigter PM, Cavallo L, Daul C, Chong DP, Chulhai DV, Deng L, Dickson
RM, Dieterich JM, Ellis DE, van Faassen M, Fan L, Fischer TH, Fonseca Guerra C, Franchini
M, Ghysels A, Giammona A, van Gisbergen SJA, Goez A, Götz AW, Groeneveld JA, Gritsenko
OV, Grüning M, Gusarov S, Harris FE, van den Hoek P, Hu Z, Jacob CR, Jacobsen H, Jensen
L, Joubert L, Kaminski JW, van Kessel G, König C, Kootstra F, Kovalenko A, Krykunov MV,
van Lenthe E, McCormack DA, Michalak A, Mitoraj M, Morton SM, Neugebauer J, Nicu VP,
Noodleman L, Osinga VP, Patchkovskii S, Pavanello M, Peeples CA, Philipsen PHT, Post D,
Pye CC, Ramanantoanina H, Ramos P, Ravenek W, Rodríguez JI, Ros P, Rüger R, Schipper
PRT, Schlüns D, van Schoot H, Schreckenbach G, Seldenthuis JS, Seth M, Snijders JG, Solà M,
Stener M, Swart M, Swerhone D, Tognetti V, te Velde G, Vernooijs P, Versluis L, Visscher L,
Visser O, Wang F, Wesolowski TA, van Wezenbeek EM, Wiesenekker G, Wolff SK, Woo TK,
Yakovlev AL (2018) ADF2018, SCM. Theoretical Chemistry, Vrije Universiteit, Amsterdam,
The Netherlands
25. Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992)
Phys Rev B 46:6671–6687
26. Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865–3868
27. Zhao Y, Truhlar DG (2007) J Chem Theory Comput 3:289–300
28. Zhao Y, Truhlar DG (2008) Theor Chem Account 120:215
29. Grimme S, Ehrlich S, Goerigk L (2011) J Comput Chem 32:1456–1465
30. Grimme S, Antony J, Ehrlich S, Krieg H (2010) J Chem Phys 132:154104
31. Grimme S (2006) J Comput Chem 27:1787–1799
32. Kim H, Choi J-M, Goddard WA (2012) J Phys Chem Lett 3:360–363
33. Zheng G, Lu X-J, Olson WK (2009) Nucleic Acids Res 37:W240–W246
34. Boys SF, Bernardi F (1970) Mol Phys 19:553–566
253
24. Baerends EJ, Ziegler T, Atkins AJ, Autschbach J, Baseggio O, Bashford D, Bérces A, Bickelhaupt FM, Bo C, Boerrigter PM, Cavallo L, Daul C, Chong DP, Chulhai DV, Deng L, Dickson
RM, Dieterich JM, Ellis DE, van Faassen M, Fan L, Fischer TH, Fonseca Guerra C, Franchini
M, Ghysels A, Giammona A, van Gisbergen SJA, Goez A, Götz AW, Groeneveld JA, Gritsenko
OV, Grüning M, Gusarov S, Harris FE, van den Hoek P, Hu Z, Jacob CR, Jacobsen H, Jensen
L, Joubert L, Kaminski JW, van Kessel G, König C, Kootstra F, Kovalenko A, Krykunov MV,
van Lenthe E, McCormack DA, Michalak A, Mitoraj M, Morton SM, Neugebauer J, Nicu VP,
Noodleman L, Osinga VP, Patchkovskii S, Pavanello M, Peeples CA, Philipsen PHT, Post D,
Pye CC, Ramanantoanina H, Ramos P, Ravenek W, Rodríguez JI, Ros P, Rüger R, Schipper
PRT, Schlüns D, van Schoot H, Schreckenbach G, Seldenthuis JS, Seth M, Snijders JG, Solà M,
Stener M, Swart M, Swerhone D, Tognetti V, te Velde G, Vernooijs P, Versluis L, Visscher L,
Visser O, Wang F, Wesolowski TA, van Wezenbeek EM, Wiesenekker G, Wolff SK, Woo TK,
Yakovlev AL (2018) ADF2018, SCM. Theoretical Chemistry, Vrije Universiteit, Amsterdam,
The Netherlands
25. Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992)
Phys Rev B 46:6671–6687
26. Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865–3868
27. Zhao Y, Truhlar DG (2007) J Chem Theory Comput 3:289–300
28. Zhao Y, Truhlar DG (2008) Theor Chem Account 120:215
29. Grimme S, Ehrlich S, Goerigk L (2011) J Comput Chem 32:1456–1465
30. Grimme S, Antony J, Ehrlich S, Krieg H (2010) J Chem Phys 132:154104
31. Grimme S (2006) J Comput Chem 27:1787–1799
32. Kim H, Choi J-M, Goddard WA (2012) J Phys Chem Lett 3:360–363
33. Zheng G, Lu X-J, Olson WK (2009) Nucleic Acids Res 37:W240–W246
34. Boys SF, Bernardi F (1970) Mol Phys 19:553–566