25. Docken KK, Hinze J (1972) J Chem Phys 57:4928
26. Ruedenberg K (1976) K.R. Sundberg. In: Calais JL, Goscinski O, Linderberg J, O ¨ hrn J (eds)
Quantum science. Plenum, New York, pp 505–515
27. Ruedenberg K (1979) In: Report on the NRCC 1978 workshop on post-Hartree–Fock
quantum chemistry. Lawrence Berkeley Laboratory, Univ. of California, Report LBL 8233,
UC4, CONF 780883, pp 46–64
28. Roos BO (1987) In: Lawley KP (ed) Ab initio methods in quantum chemistry II. Wiley,
New York, pp 399–446
29. Andersson K, Malmqvist P, Roos BO (1992) J Chem Phys 96:1218
30. Shavitt I (1977) In: Schaefer HF III (ed) Modern theoretical chemistry, vol 3. Methods of
electronic structure theory. Plenum, New York, pp 189–275
31. Zewail AH (2000) J Phys Chem A 104:5660
32. Zewail AH (2010) Chem Phys 378:1
33. Hohenberg P, Kohn W (1964) Phys Rev 136:B864
34. Kohn W, Sham LJ (1965) Phys Rev 140:A1133
35. Gaudoin R, Burke K (2004) Phys Rev Lett 93:173001
36. Gaudoin R, Burke K (2005) Phys Rev Lett 94:029901
37. Ziegler T, Krykunov M, Autschbach J (2014) J Chem Theory Comput 10:3980
38. Casida ME, Jamorski C, Bohr F, Guan JO, Salahub DR (1994) In: Karna SP, Yeates AT
(ed) Nonlinear optical materials: theory and modeling, ACS symposium series, vol 628,
Div Comp Chem, 1996. Symposium on nonlinear optical materials – theory and modeling,
at the 208th national meeting of the American-Chemical-Society, Washington, DC,
Aug 21–25, 1994, pp 145–163
39. 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
40. Levine BG, Ko C, Quenneville J, Martı ´nez TJ (2006) Mol Phys 104:1039
41. Yang S, Martı ´nez TJ (2011) In: Domcke W, Yarkony DR, K€ oppel H (eds) Conical intersections. Theory, computation and experiment, advanced series in physical chemistry, vol 17.
World Scientific, Singapore, pp 347–374
42. Huix-Rotllant M, Filatov M, Gozem S, Schapiro I, Olivucci M, Ferre ´ N (2013) J Chem
Theory Comput 9:3917
43. 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
44. Shao Y, Head-Gordon M, Krylov AI (2003) J Chem Phys 118:4807
45. Wang F, Ziegler T (2004) J Chem Phys 121:12191
46. Rinkevicius Z, Vahtras O, Ågren H (2010) J Chem Phys 133:114104
47. Bernard YA, Shao Y, Krylov AI (2012) J Chem Phys 136:204103
48. Huix-Rotllant M, Natarajan B, Ipatov A, Wawire CM, Deutsch T, Casida ME (2010) Phys
Chem Chem Phys 12:12811
49. Gross EKU, Oliveira LN, Kohn W (1988) Phys Rev A 37:2805
50. Gross EKU, Oliveira LN, Kohn W (1988) Phys Rev A 37:2809
51. Oliveira LN, Gross EKU, Kohn W (1988) Phys Rev A 37:2821
52. Franck O, Fromager E (2014) Mol Phys 112:1684
53. Lieb EH (1983) Int J Quant Chem 24:243
54. Filatov M, Shaik S (1999) Chem Phys Lett 304:429
55. Filatov M, Shaik S (2000) J Phys Chem A 104:6628
56. Moreira IDPR, Costa R, Filatov M, Illas F (2007) J Chem Theory Comput 3:764
57. Kazaryan A, Heuver J, Filatov M (2008) J Phys Chem A 112:12980
58. Filatov M (2013) J Chem Theory Comput 9:4526
59. Nikiforov A, Gamez JA, Thiel W, Huix-Rotllant M, Filatov M (2014) J Chem Phys
141:124122
474
M. Huix-Rotllant et al.
26. Ruedenberg K (1976) K.R. Sundberg. In: Calais JL, Goscinski O, Linderberg J, O ¨ hrn J (eds)
Quantum science. Plenum, New York, pp 505–515
27. Ruedenberg K (1979) In: Report on the NRCC 1978 workshop on post-Hartree–Fock
quantum chemistry. Lawrence Berkeley Laboratory, Univ. of California, Report LBL 8233,
UC4, CONF 780883, pp 46–64
28. Roos BO (1987) In: Lawley KP (ed) Ab initio methods in quantum chemistry II. Wiley,
New York, pp 399–446
29. Andersson K, Malmqvist P, Roos BO (1992) J Chem Phys 96:1218
30. Shavitt I (1977) In: Schaefer HF III (ed) Modern theoretical chemistry, vol 3. Methods of
electronic structure theory. Plenum, New York, pp 189–275
31. Zewail AH (2000) J Phys Chem A 104:5660
32. Zewail AH (2010) Chem Phys 378:1
33. Hohenberg P, Kohn W (1964) Phys Rev 136:B864
34. Kohn W, Sham LJ (1965) Phys Rev 140:A1133
35. Gaudoin R, Burke K (2004) Phys Rev Lett 93:173001
36. Gaudoin R, Burke K (2005) Phys Rev Lett 94:029901
37. Ziegler T, Krykunov M, Autschbach J (2014) J Chem Theory Comput 10:3980
38. Casida ME, Jamorski C, Bohr F, Guan JO, Salahub DR (1994) In: Karna SP, Yeates AT
(ed) Nonlinear optical materials: theory and modeling, ACS symposium series, vol 628,
Div Comp Chem, 1996. Symposium on nonlinear optical materials – theory and modeling,
at the 208th national meeting of the American-Chemical-Society, Washington, DC,
Aug 21–25, 1994, pp 145–163
39. 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
40. Levine BG, Ko C, Quenneville J, Martı ´nez TJ (2006) Mol Phys 104:1039
41. Yang S, Martı ´nez TJ (2011) In: Domcke W, Yarkony DR, K€ oppel H (eds) Conical intersections. Theory, computation and experiment, advanced series in physical chemistry, vol 17.
World Scientific, Singapore, pp 347–374
42. Huix-Rotllant M, Filatov M, Gozem S, Schapiro I, Olivucci M, Ferre ´ N (2013) J Chem
Theory Comput 9:3917
43. 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
44. Shao Y, Head-Gordon M, Krylov AI (2003) J Chem Phys 118:4807
45. Wang F, Ziegler T (2004) J Chem Phys 121:12191
46. Rinkevicius Z, Vahtras O, Ågren H (2010) J Chem Phys 133:114104
47. Bernard YA, Shao Y, Krylov AI (2012) J Chem Phys 136:204103
48. Huix-Rotllant M, Natarajan B, Ipatov A, Wawire CM, Deutsch T, Casida ME (2010) Phys
Chem Chem Phys 12:12811
49. Gross EKU, Oliveira LN, Kohn W (1988) Phys Rev A 37:2805
50. Gross EKU, Oliveira LN, Kohn W (1988) Phys Rev A 37:2809
51. Oliveira LN, Gross EKU, Kohn W (1988) Phys Rev A 37:2821
52. Franck O, Fromager E (2014) Mol Phys 112:1684
53. Lieb EH (1983) Int J Quant Chem 24:243
54. Filatov M, Shaik S (1999) Chem Phys Lett 304:429
55. Filatov M, Shaik S (2000) J Phys Chem A 104:6628
56. Moreira IDPR, Costa R, Filatov M, Illas F (2007) J Chem Theory Comput 3:764
57. Kazaryan A, Heuver J, Filatov M (2008) J Phys Chem A 112:12980
58. Filatov M (2013) J Chem Theory Comput 9:4526
59. Nikiforov A, Gamez JA, Thiel W, Huix-Rotllant M, Filatov M (2014) J Chem Phys
141:124122
474
M. Huix-Rotllant et al.