47. Romaniello P, Sangalli D, Berger JA, Sottile F, Molinari LG, Reining L, Onida G (2009)
Double excitations in finite systems. J Chem Phys 130:044108
48. Oddershede J, Jørgensen P (1977) An order analysis of the particle-hole propagator. J Chem
Phys 66:1541
49. Nielsen ES, Jørgensen P, Oddershede J (1980) Transition moments and dynamic polarizabilities in a second order polarization propagator approach. J Chem Phys 73:6238
50. Nielsen ES, Jørgensen P, Oddershede J (1980) J Chem Phys 75:499; Erratum (1980): J Chem
Phys 73:6238
51. Jørgensen P, Simons J (1981) Second quantization-based methods in quantum chemistry.
Academic, New York
52. Schirmer J (1982) Beyond the random phase approximation: a new approximation scheme for
the polarization propagator. Phys Rev A 26:2395
53. Trofimov AB, Stelter G, Schirmer J (1999) A consistent third-order propagator method for
electronic excitation. J Chem Phys 111:9982
54. Fetter AL, Walecka JD (1971) Quantum theory of many-particle systems. McGraw-Hill,
New York
55. Kobe DH (1966) Linked cluster theorem and the Green’s function equations of motion for a
many-fermion system. J Math Phys 7(10):1806
56. Wilson S (1984) Electron correlation in molecules. Clarendon, Oxford
57. Sangalli D, Romaniello P, Colo ` G, Marini A, Onida G (2011) Double excitation in correlated
systems: a many-body approach. J Chem Phys 134:034115
58. Casida ME (2005) Propagator corrections to adiabatic time-dependent density-functional
theory linear response theory. J Chem Phys 122:054111
59. Hirata S, Ivanov S, Bartlett RJ, Grabowski I (2005) Exact-exchange time-dependent densityfunctional theory for static and dynamic polarizabilities. Phys Rev A 71:032507
60. G€ orling A (1998) Exact exchange kernel for time-dependent density-functional theory. Int J
Quant Chem 69:265
61. Maitra NT, Zhang F, Cave RJ, Burke K (2004) Double excitations within time-dependent
density functional theory linear response theory. J Chem Phys 120:5932
62. Cave RJ, Zhang F, Maitra NT, Burke K (2004) A dressed TDDFT treatment of the
1
A g states
of butadiene and hexatriene. Chem Phys Lett 389:39
63. Mazur G, Włodarczyk R (2009) Application of the dressed time-dependent density functional
theory for the excited states of linear polyenes. J Comput Chem 30:811
64. Gritsenko OV, Baerends EJ (2009) Double excitation effect in non-adiabatic time-dependent
density functional theory with an analytic construction of the exchange-correlation kernel in
the common energy denominator approximation. Phys Chem Chem Phys 11:4640
65. Huix-Rotllant M, Ipatov A, Rubio A, Casida ME (2011) Assessment of dressed timedependent density-functional theory for the low-lying valence states of 28 organic chromophores. Chem Phys 391:120
66. Schreiber M, Silva-Junior MR, Sauer SPA, Thiel W (2008) Benchmarks for electronically
excited states: CASPT2, CC2, CCSD, and CC3. J Chem Phys 128:134110
67. Hsu CP, Hirata S, Head-Gordon M (2001) Excitation energies from time-dependent density
functional theory for linear polyene oligomers: butadiene to decapentaene. J Phys Chem A
105:451
68. Maitra NT, Tempel DG (2006) Long-range excitations in time-dependent density functional
theory. J Chem Phys 125:184111
69. Huix-Rotllant M (2011) Improved correlation kernels for linear-response time-dependent
density-functional theory. Ph.D. thesis, Universite ´ de Grenoble
70. Bokhan D, Schweigert IG, Bartlett RJ (2005) Interconnection between functional derivative
and effective operator approaches in ab initio density functional theory. Mol Phys 103:2299
71. Bokhan D, Bartlett RJ (2006) Adiabatic ab initio time-dependent density-functional theory
employing optimized-effective-potential many-body perturbation theory potentials.
Phys Rev A 73:022502
58
M.E. Casida and M. Huix-Rotllant
Double excitations in finite systems. J Chem Phys 130:044108
48. Oddershede J, Jørgensen P (1977) An order analysis of the particle-hole propagator. J Chem
Phys 66:1541
49. Nielsen ES, Jørgensen P, Oddershede J (1980) Transition moments and dynamic polarizabilities in a second order polarization propagator approach. J Chem Phys 73:6238
50. Nielsen ES, Jørgensen P, Oddershede J (1980) J Chem Phys 75:499; Erratum (1980): J Chem
Phys 73:6238
51. Jørgensen P, Simons J (1981) Second quantization-based methods in quantum chemistry.
Academic, New York
52. Schirmer J (1982) Beyond the random phase approximation: a new approximation scheme for
the polarization propagator. Phys Rev A 26:2395
53. Trofimov AB, Stelter G, Schirmer J (1999) A consistent third-order propagator method for
electronic excitation. J Chem Phys 111:9982
54. Fetter AL, Walecka JD (1971) Quantum theory of many-particle systems. McGraw-Hill,
New York
55. Kobe DH (1966) Linked cluster theorem and the Green’s function equations of motion for a
many-fermion system. J Math Phys 7(10):1806
56. Wilson S (1984) Electron correlation in molecules. Clarendon, Oxford
57. Sangalli D, Romaniello P, Colo ` G, Marini A, Onida G (2011) Double excitation in correlated
systems: a many-body approach. J Chem Phys 134:034115
58. Casida ME (2005) Propagator corrections to adiabatic time-dependent density-functional
theory linear response theory. J Chem Phys 122:054111
59. Hirata S, Ivanov S, Bartlett RJ, Grabowski I (2005) Exact-exchange time-dependent densityfunctional theory for static and dynamic polarizabilities. Phys Rev A 71:032507
60. G€ orling A (1998) Exact exchange kernel for time-dependent density-functional theory. Int J
Quant Chem 69:265
61. Maitra NT, Zhang F, Cave RJ, Burke K (2004) Double excitations within time-dependent
density functional theory linear response theory. J Chem Phys 120:5932
62. Cave RJ, Zhang F, Maitra NT, Burke K (2004) A dressed TDDFT treatment of the
1
A g states
of butadiene and hexatriene. Chem Phys Lett 389:39
63. Mazur G, Włodarczyk R (2009) Application of the dressed time-dependent density functional
theory for the excited states of linear polyenes. J Comput Chem 30:811
64. Gritsenko OV, Baerends EJ (2009) Double excitation effect in non-adiabatic time-dependent
density functional theory with an analytic construction of the exchange-correlation kernel in
the common energy denominator approximation. Phys Chem Chem Phys 11:4640
65. Huix-Rotllant M, Ipatov A, Rubio A, Casida ME (2011) Assessment of dressed timedependent density-functional theory for the low-lying valence states of 28 organic chromophores. Chem Phys 391:120
66. Schreiber M, Silva-Junior MR, Sauer SPA, Thiel W (2008) Benchmarks for electronically
excited states: CASPT2, CC2, CCSD, and CC3. J Chem Phys 128:134110
67. Hsu CP, Hirata S, Head-Gordon M (2001) Excitation energies from time-dependent density
functional theory for linear polyene oligomers: butadiene to decapentaene. J Phys Chem A
105:451
68. Maitra NT, Tempel DG (2006) Long-range excitations in time-dependent density functional
theory. J Chem Phys 125:184111
69. Huix-Rotllant M (2011) Improved correlation kernels for linear-response time-dependent
density-functional theory. Ph.D. thesis, Universite ´ de Grenoble
70. Bokhan D, Schweigert IG, Bartlett RJ (2005) Interconnection between functional derivative
and effective operator approaches in ab initio density functional theory. Mol Phys 103:2299
71. Bokhan D, Bartlett RJ (2006) Adiabatic ab initio time-dependent density-functional theory
employing optimized-effective-potential many-body perturbation theory potentials.
Phys Rev A 73:022502
58
M.E. Casida and M. Huix-Rotllant