Symposium on nonlinear optical materials – theory and modeling, at the 208th National
Meeting of the American Chemical Society, Washington, DC
4. Casida ME, Huix-Rotllant M (2012) Annu Rev Phys Chem 63:287
5. Marques MAL, Gross EKU (2003) In: Fiolhais C, Nogueira F, Marques MAL (eds) A primer
in density-functional theory, lecture notes in physics, vol 620. Springer, Berlin, pp 144–184
6. Maitra NT, Zhang F, Cave R, Burke K (2004) J Chem Phys 120:5932
7. Cave RJ, Zhang F, Maitra NT, Burke K (2004) Chem Phys Lett 389:39
8. Huix-Rotllant M, Ipatov A, Rubio A, Casida ME (2011) Chem Phys 391:120
9. Aryasetiawan F, Gunnarsson O, Rubio A (2002) Europhys Lett 57:683
10. McWeeny R (1992) Methods of molecular quantum mechanics. Academic, San Diego
11. Slater JC, Wood JH (1970) Int J Quantum Chem S4:3
12. Ziegler T, Rauk A, Baerends EJ (1977) Theor Chim Acta 43:261
13. Gunnarsson O, Lundqvist BI (1976) Phys Rev B 13:4274
14. Kowalczyk T, Yost SR, Van Voorhis T (2011) J Chem Phys 134:054128
15. Gaudoin R, Burke K (2004) Phys Rev Lett 93:173001
16. Gaudoin R, Burke K (2005) Phys Rev Lett 94:029901
17. Li YQ, Pan XY, Li B, Sahni V (2012) Phys Rev A 85:032517
18. Theophilou AK (1979) J Phys C Solid State Phys 12:5419
19. Valone SM (1980) J Chem Phys 73:4653
20. Lieb EH (1983) Int J Quantum Chem 24:243
21. Englisch H, Englisch R (1984) Phys Stat Sol (b) 123:711
22. Englisch H, Englisch R (1984) Phys Stat Sol (b) 124:373
23. Gross EKU, Oliveira LN, Kohn W (1988) Phys Rev A 37:2805
24. Gross EKU, Oliveira LN, Kohn W (1988) Phys Rev A 37:2809
25. Oliveira LN, Gross EKU, Kohn W (1988) Phys Rev A 37:2821
26. Schipper PRT, Gritsenko OV, Baerends EJ (1998) Theor Chem Acc 99:329
27. Schipper PRT, Gritsenko OV, Baerends EJ (1999) J Chem Phys 111:4056
28. Morrison RC (2002) J Chem Phys 117:10506
29. Oliveira LN, Gross EKU, Kohn W (1990) Int J Quantum Chem Quantum Chem Symp 24:707
30. Ullrich CA, Kohn W (2001) Phys Rev Lett 87:093001
31. Pastorczak E, Gidopoulos NI, Pernal K (2013) Phys Rev A 87:062501
32. Franck O, Fromager E (2014) Mol Phys 112:1684
33. Pribram-Jones A, Yang ZH, Trail JR, Burke K, Needs RJ, Ullrich CA (2014) J Chem Phys
140:18A541
34. Filatov M, Shaik S (1998) Chem Phys Lett 288:689
35. Filatov M, Shaik S (1999) Chem Phys Lett 304:429
36. Filatov M, Shaik S (2000) Chem Phys Lett 332:409
37. Filatov M, Shaik S (2000) J Phys Chem A 104:6628
38. Moreira IDPR, Costa R, Filatov M, Illas F (2007) J Chem Theory Comput 3:764
39. Kazaryan A, Heuver J, Filatov M (2008) J Phys Chem A 112:12980
40. Filatov M (2013) J Chem Theory Comput 9:4526
41. Huix-Rotllant M, Filatov M, Gozem S, Schapiro I, Olivucci M, Ferre ´ N (2013) J Chem
Theory Comput 9:3917
42. Filatov M, Shaik S (1999) J Phys Chem A 103:8885
43. Filatov M, Shaik S (1999) J Chem Phys 110:116
44. De Visser SP, Filatov M, Shaik S (2000) Phys Chem Chem Phys 2:5046
45. Filatov M, Shaik S, Woeller M, Grimme S, Peyerimhoff SD (2000) Chem Phys Lett 316:135
46. De Visser SP, Filatov M, Shaik S (2001) Phys Chem Chem Phys 3:1242
47. Kraka E, Anglada J, Hjerpe A, Filatov M, Cremer D (2001) Chem Phys Lett 348:115
48. Cremer D, Filatov M, Polo V, Kraka E, Shaik S (2002) Int J Mol Sci 3:604
49. Gra ¨fenstein J, Kraka E, Filatov M, Cremer D (2002) Int J Mol Sci 3:360
50. Filatov M, Cremer D (2003) Phys Chem Chem Phys 5:2320
51. De Visser SP, Filatov M, Schreiner PR, Shaik S (2003) Eur J Org Chem 21:4199
122
M. Filatov
Meeting of the American Chemical Society, Washington, DC
4. Casida ME, Huix-Rotllant M (2012) Annu Rev Phys Chem 63:287
5. Marques MAL, Gross EKU (2003) In: Fiolhais C, Nogueira F, Marques MAL (eds) A primer
in density-functional theory, lecture notes in physics, vol 620. Springer, Berlin, pp 144–184
6. Maitra NT, Zhang F, Cave R, Burke K (2004) J Chem Phys 120:5932
7. Cave RJ, Zhang F, Maitra NT, Burke K (2004) Chem Phys Lett 389:39
8. Huix-Rotllant M, Ipatov A, Rubio A, Casida ME (2011) Chem Phys 391:120
9. Aryasetiawan F, Gunnarsson O, Rubio A (2002) Europhys Lett 57:683
10. McWeeny R (1992) Methods of molecular quantum mechanics. Academic, San Diego
11. Slater JC, Wood JH (1970) Int J Quantum Chem S4:3
12. Ziegler T, Rauk A, Baerends EJ (1977) Theor Chim Acta 43:261
13. Gunnarsson O, Lundqvist BI (1976) Phys Rev B 13:4274
14. Kowalczyk T, Yost SR, Van Voorhis T (2011) J Chem Phys 134:054128
15. Gaudoin R, Burke K (2004) Phys Rev Lett 93:173001
16. Gaudoin R, Burke K (2005) Phys Rev Lett 94:029901
17. Li YQ, Pan XY, Li B, Sahni V (2012) Phys Rev A 85:032517
18. Theophilou AK (1979) J Phys C Solid State Phys 12:5419
19. Valone SM (1980) J Chem Phys 73:4653
20. Lieb EH (1983) Int J Quantum Chem 24:243
21. Englisch H, Englisch R (1984) Phys Stat Sol (b) 123:711
22. Englisch H, Englisch R (1984) Phys Stat Sol (b) 124:373
23. Gross EKU, Oliveira LN, Kohn W (1988) Phys Rev A 37:2805
24. Gross EKU, Oliveira LN, Kohn W (1988) Phys Rev A 37:2809
25. Oliveira LN, Gross EKU, Kohn W (1988) Phys Rev A 37:2821
26. Schipper PRT, Gritsenko OV, Baerends EJ (1998) Theor Chem Acc 99:329
27. Schipper PRT, Gritsenko OV, Baerends EJ (1999) J Chem Phys 111:4056
28. Morrison RC (2002) J Chem Phys 117:10506
29. Oliveira LN, Gross EKU, Kohn W (1990) Int J Quantum Chem Quantum Chem Symp 24:707
30. Ullrich CA, Kohn W (2001) Phys Rev Lett 87:093001
31. Pastorczak E, Gidopoulos NI, Pernal K (2013) Phys Rev A 87:062501
32. Franck O, Fromager E (2014) Mol Phys 112:1684
33. Pribram-Jones A, Yang ZH, Trail JR, Burke K, Needs RJ, Ullrich CA (2014) J Chem Phys
140:18A541
34. Filatov M, Shaik S (1998) Chem Phys Lett 288:689
35. Filatov M, Shaik S (1999) Chem Phys Lett 304:429
36. Filatov M, Shaik S (2000) Chem Phys Lett 332:409
37. Filatov M, Shaik S (2000) J Phys Chem A 104:6628
38. Moreira IDPR, Costa R, Filatov M, Illas F (2007) J Chem Theory Comput 3:764
39. Kazaryan A, Heuver J, Filatov M (2008) J Phys Chem A 112:12980
40. Filatov M (2013) J Chem Theory Comput 9:4526
41. Huix-Rotllant M, Filatov M, Gozem S, Schapiro I, Olivucci M, Ferre ´ N (2013) J Chem
Theory Comput 9:3917
42. Filatov M, Shaik S (1999) J Phys Chem A 103:8885
43. Filatov M, Shaik S (1999) J Chem Phys 110:116
44. De Visser SP, Filatov M, Shaik S (2000) Phys Chem Chem Phys 2:5046
45. Filatov M, Shaik S, Woeller M, Grimme S, Peyerimhoff SD (2000) Chem Phys Lett 316:135
46. De Visser SP, Filatov M, Shaik S (2001) Phys Chem Chem Phys 3:1242
47. Kraka E, Anglada J, Hjerpe A, Filatov M, Cremer D (2001) Chem Phys Lett 348:115
48. Cremer D, Filatov M, Polo V, Kraka E, Shaik S (2002) Int J Mol Sci 3:604
49. Gra ¨fenstein J, Kraka E, Filatov M, Cremer D (2002) Int J Mol Sci 3:360
50. Filatov M, Cremer D (2003) Phys Chem Chem Phys 5:2320
51. De Visser SP, Filatov M, Schreiner PR, Shaik S (2003) Eur J Org Chem 21:4199
122
M. Filatov