512
N. C. Bacalis
27. J. Autschbach, ChemPhysChem 10, 1757 (2009)
28. S. Grimme, F. Neese, J. Chem. Phys. 127, 154116 (2007)
29. H.J. Monkhorst, Int. J. Quantum Chem. Symp. 11, 421 (1977)
30. E. Dalgaard, H.J. Monkhorst, Phys. Rev. A 28, 1217 (1983)
31. H. Koch, P. Jørgensen, J. Chem. Phys. 93, 3333 (1990)
32. H. Koch, H.J.A. Jensen, P. Jørgensen, T. Helgaker, J. Chem. Phys. 93, 3345 (1990)
33. K. Emrich, Nucl. Phys. A 351, 397 (1981)
34. H. Sekino, R.J. Bartlett, Int. J. Quantum Chem. Symp. 18, 255 (1984)
35. J. Geertsen, M. Rittby, R.J. Bartlett, Chem. Phys. Lett. 164, 57 (1989)
36. J.F. Stanton, R.J. Bartlett, J. Chem. Phys. 98, 7029 (1993)
37. D.C. Comeau, R.J. Bartlett, Chem. Phys. Lett. 207, 414 (1993)
38. R.J. Rico, M. Head-Gordon, Chem. Phys. Lett. 213, 224 (1993)
39. J.D. Watts, An introduction to equation-of-motion and linear-response coupled-cluster methods
for electronically excited states of molecules, in Radiation Induced Molecular Phenomena in
Nucleic Acids, ed. by M. K. Shukla, J. Leszczynski (Springer, Dordrecht, 2008), pp. 65–92
40. M. Nooijen, R.J. Bartlett, J. Chem. Phys. 107, 6812 (1997)
41. J.F. Stanton, J. Chem. Phys. 101, 8928 (1994)
42. M. Musial, R.J. Bartlett, J. Chem. Phys. 134, 034106 (2011)
43. C. Hättig, A. Hellweg, A. Köhn, J. Am. Chem. Soc. 128, 15672 (2006)
44. B.M. Wong, J.G. Cordaro, J. Chem. Phys. 129, 214703 (2008)
45. A.I. Krylov, Chem. Phys. Lett. 350, 522 (2001)
46. Y. Shao, M. Head-Gordon, A.I. Krylov, J. Chem. Phys. 118, 4807 (2003)
47. S.V. Levchenko, A.I. Krylov, J. Chem. Phys. 120, 175 (2004)
48. E.J. Sundstrom, M. Head-Gordon, J. Chem. Phys. 140, 114103 (2014)
49. B.O. Roos, Ab initio methods, in Quantum Chemistry, Part 2, Advances in Chemical Physics,
ed. by K. P. Lawley, vol. 69 (Wiley, Hoboken, 1987), pp. 399–442
50. K. Andersson, P.-A. Malmqvist, B.O. Roos, J. Chem. Phys. 96, 1218 (1992)
51. P.M. Zimmerman, F. Bell, M. Goldey, A.T. Bell, M. Head-Gordon, J. Chem. Phys. 137, 164110
(2012)
52. D. Casanova, J. Chem. Phys. 137, 084105 (2012)
53. M. Wormit, D.R. Rehn, P.H.P. Harbach, J. Wenzel, C.M. Krauter, E. Epifanovsky, A. Dreuw,
Mol. Phys. 112, 774–784 (2014)
54. P.-O. Löwdin, Phys. Rev. 97, 1509 (1955)
55. P.-O. Löwdin, Adv. Chem. Phys. 2, 207 (1959)
56. R. Shepard, Adv. Chem. Phys. 69, 63 (1987)
57. M. Born, R. Oppenheimer, Ann. Phys. 84, 457 (1927)
58. H.-J. Werner, Adv. Chem. Phys. 69, 1 (1987)
59. H.-J. Werner, W. Meyer, J. Chem. Phys. 73, 342 (1980)
60. M. Frisch, I. Ragazos, M. Robb, H. Schlegel, Chem. Phys. Lett. 189, 524 (1992)
61. K. Ruedenberg, L.M. Cheung, S.T. Elbert, Int. J. Quantum Chem. 16, 1069 (1979)
62. K. Docken, J. Hinze, J. Chem. Phys. 57, 4928 (1972)
63. H.-J. Werner, W. Meyer, J. Chem. Phys. 74, 5794 (1981)
64. D. Yeager, D. Lynch, J. Nichols, P. Jørgensen, J. Olsen, J. Phys. Chem. 86, 2140 (1982)
65. J. Olsen, P. Jørgensen, D. Yeager, J. Chem. Phys. 76, 527 (1982)
66. Z. Xiong, N.C. Bacalis, Chin. Phys. B 19, 023601 (2010). https://doi.org/10.1088/16741056/19/2/023601
67. T.C. Chang, W.H.E. Schwarz, Theor. Chim. Acta (Berl) 44, 45 (1977)
68. S. Matsumoto, M. Toyama, Y. Yasuda, T. Uchide, R. Ueno, Chem. Phys. Lett. 157, 142 (1989)
69. M.R. Hoffmann, C.D. Sherrill, M.L. Leininger, H.F. Schaefer III, Chem. Phys. Lett. 355, 183
(2002)
70. J.J. Dorando, J. Hachmann, G.K.-L. Chan, J. Chem. Phys. 127, 084109 (2007)
71. M. McCourt, J.W. McIver Jr., J. Comput. Chem. 8, 454 (1987)
72. E.R. Davidson, L.Z. Stenkamp, Int. J. Quantum Chem. Symp. 10, 21 (1976)
73. C.S. Sharma, S. Srirankanathan, Mol. Phys. 40, 1021 (1980)
N. C. Bacalis
27. J. Autschbach, ChemPhysChem 10, 1757 (2009)
28. S. Grimme, F. Neese, J. Chem. Phys. 127, 154116 (2007)
29. H.J. Monkhorst, Int. J. Quantum Chem. Symp. 11, 421 (1977)
30. E. Dalgaard, H.J. Monkhorst, Phys. Rev. A 28, 1217 (1983)
31. H. Koch, P. Jørgensen, J. Chem. Phys. 93, 3333 (1990)
32. H. Koch, H.J.A. Jensen, P. Jørgensen, T. Helgaker, J. Chem. Phys. 93, 3345 (1990)
33. K. Emrich, Nucl. Phys. A 351, 397 (1981)
34. H. Sekino, R.J. Bartlett, Int. J. Quantum Chem. Symp. 18, 255 (1984)
35. J. Geertsen, M. Rittby, R.J. Bartlett, Chem. Phys. Lett. 164, 57 (1989)
36. J.F. Stanton, R.J. Bartlett, J. Chem. Phys. 98, 7029 (1993)
37. D.C. Comeau, R.J. Bartlett, Chem. Phys. Lett. 207, 414 (1993)
38. R.J. Rico, M. Head-Gordon, Chem. Phys. Lett. 213, 224 (1993)
39. J.D. Watts, An introduction to equation-of-motion and linear-response coupled-cluster methods
for electronically excited states of molecules, in Radiation Induced Molecular Phenomena in
Nucleic Acids, ed. by M. K. Shukla, J. Leszczynski (Springer, Dordrecht, 2008), pp. 65–92
40. M. Nooijen, R.J. Bartlett, J. Chem. Phys. 107, 6812 (1997)
41. J.F. Stanton, J. Chem. Phys. 101, 8928 (1994)
42. M. Musial, R.J. Bartlett, J. Chem. Phys. 134, 034106 (2011)
43. C. Hättig, A. Hellweg, A. Köhn, J. Am. Chem. Soc. 128, 15672 (2006)
44. B.M. Wong, J.G. Cordaro, J. Chem. Phys. 129, 214703 (2008)
45. A.I. Krylov, Chem. Phys. Lett. 350, 522 (2001)
46. Y. Shao, M. Head-Gordon, A.I. Krylov, J. Chem. Phys. 118, 4807 (2003)
47. S.V. Levchenko, A.I. Krylov, J. Chem. Phys. 120, 175 (2004)
48. E.J. Sundstrom, M. Head-Gordon, J. Chem. Phys. 140, 114103 (2014)
49. B.O. Roos, Ab initio methods, in Quantum Chemistry, Part 2, Advances in Chemical Physics,
ed. by K. P. Lawley, vol. 69 (Wiley, Hoboken, 1987), pp. 399–442
50. K. Andersson, P.-A. Malmqvist, B.O. Roos, J. Chem. Phys. 96, 1218 (1992)
51. P.M. Zimmerman, F. Bell, M. Goldey, A.T. Bell, M. Head-Gordon, J. Chem. Phys. 137, 164110
(2012)
52. D. Casanova, J. Chem. Phys. 137, 084105 (2012)
53. M. Wormit, D.R. Rehn, P.H.P. Harbach, J. Wenzel, C.M. Krauter, E. Epifanovsky, A. Dreuw,
Mol. Phys. 112, 774–784 (2014)
54. P.-O. Löwdin, Phys. Rev. 97, 1509 (1955)
55. P.-O. Löwdin, Adv. Chem. Phys. 2, 207 (1959)
56. R. Shepard, Adv. Chem. Phys. 69, 63 (1987)
57. M. Born, R. Oppenheimer, Ann. Phys. 84, 457 (1927)
58. H.-J. Werner, Adv. Chem. Phys. 69, 1 (1987)
59. H.-J. Werner, W. Meyer, J. Chem. Phys. 73, 342 (1980)
60. M. Frisch, I. Ragazos, M. Robb, H. Schlegel, Chem. Phys. Lett. 189, 524 (1992)
61. K. Ruedenberg, L.M. Cheung, S.T. Elbert, Int. J. Quantum Chem. 16, 1069 (1979)
62. K. Docken, J. Hinze, J. Chem. Phys. 57, 4928 (1972)
63. H.-J. Werner, W. Meyer, J. Chem. Phys. 74, 5794 (1981)
64. D. Yeager, D. Lynch, J. Nichols, P. Jørgensen, J. Olsen, J. Phys. Chem. 86, 2140 (1982)
65. J. Olsen, P. Jørgensen, D. Yeager, J. Chem. Phys. 76, 527 (1982)
66. Z. Xiong, N.C. Bacalis, Chin. Phys. B 19, 023601 (2010). https://doi.org/10.1088/16741056/19/2/023601
67. T.C. Chang, W.H.E. Schwarz, Theor. Chim. Acta (Berl) 44, 45 (1977)
68. S. Matsumoto, M. Toyama, Y. Yasuda, T. Uchide, R. Ueno, Chem. Phys. Lett. 157, 142 (1989)
69. M.R. Hoffmann, C.D. Sherrill, M.L. Leininger, H.F. Schaefer III, Chem. Phys. Lett. 355, 183
(2002)
70. J.J. Dorando, J. Hachmann, G.K.-L. Chan, J. Chem. Phys. 127, 084109 (2007)
71. M. McCourt, J.W. McIver Jr., J. Comput. Chem. 8, 454 (1987)
72. E.R. Davidson, L.Z. Stenkamp, Int. J. Quantum Chem. Symp. 10, 21 (1976)
73. C.S. Sharma, S. Srirankanathan, Mol. Phys. 40, 1021 (1980)