78. Elenewski JE, Chen H (2014) Real-time transport in open quantum systems from
PT-symmetric quantum mechanics. Phys Rev B 90(8):085104
79. Varga K, Pantelides S (2007) Quantum transport in molecules and nanotube devices.
Phys Rev Lett 98(7):076804
80. Wibking BD, Varga K (2012) Quantum mechanics with complex injecting potentials.
Phys Lett A 376(4):365–369
81. Muga J, Palao JP, Navarro B, Egusquiza IL (2004) Complex absorbing potentials. Phys Rep
395(6):357–426
82. Andrade X, Aspuru-Guzik A (2011) Prediction of the derivative discontinuity in density
functional theory from an electrostatic description of the exchange and correlation potential.
Phys Rev Lett 107(18):183002
83. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple.
Phys Rev Lett 77(18):3865–3868
84. Crawford-Uranga A, De Giovannini U, Ra ¨sa ¨nen E, Oliveira MJT, Mowbray DJ,
Nikolopoulos GM, Karamatskos ET, Markellos D, Lambropoulos P, Kurth S, Rubio A
(2014) Time-dependent density-functional theory of strong-field ionization of atoms by
soft X-rays. Phys Rev A 90(3):033412
85. Krause J, Schafer K, Kulander K (1992) Calculation of photoemission from atoms subject to
intense laser fields. Phys Rev A 45(7):4998–5010
86. Kulander K, Mies F, Schafer K (1996) Model for studies of laser-induced nonlinear processes
in molecules. Phys Rev A 53(4):2562–2570
87. Lein M, Marangos J, Knight P (2002) Electron diffraction in above-threshold ionization of
molecules. Phys Rev A 66(5):051404R
88. Chelkowski S, Foisy C, Bandrauk AD (1998) Electron–nuclear dynamics of multiphoton H 2
+
dissociative ionization in intense laser fields. Phys Rev A 57(2):1176–1185
89. Grobe R, Haan S, Eberly J (1999) A split-domain algorithm for time-dependent multielectron wave functions. Comput Phys Commun 117(3):200–210
90. De Giovannini U, Varsano D, Marques MAL, Appel H, Gross EKU, Rubio A (2012) Ab initio
angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory. Phys Rev A 85:062515
91. Shemer O, Brisker D, Moiseyev N (2005) Optimal reflection-free complex absorbing potentials for quantum propagation of wave packets. Phys Rev A 71(3):032716
92. McCurdy CW, Stroud C, Wisinski M (1991) Solving the time-dependent Schr€ odinger
equation using complex-coordinate contours. Phys Rev A 43(11):5980–5990
93. Riss UV, Meyer HD (1995) Reflection-free complex absorbing potentials. J Phys B At Mol
Opt 28(8):1475–1493
94. Sosnova KE, Telnov DA, Rozenbaum EB, Chu SI (2014) Exterior complex scaling method in
TDDFT: HHG of Ar atoms in intense laser fields. J Phys Conf Ser 488(1):012022
95. Pohl A, Reinhard PG, Suraud E (2000) Towards single-particle spectroscopy of small metal
clusters. Phys Rev Lett 84(22):5090–5093
96. Dinh PM, Romaniello P, Reinhard PG, Suraud E (2013) Calculation of photoelectron spectra:
a mean-field-based scheme. Phys Rev A 87(3):032514
97. Caillat J, Zanghellini J, Kitzler M, Koch O, Kreuzer W, Scrinzi A (2005) Correlated
multielectron systems in strong laser fields: a multiconfiguration time-dependent Hartree–
Fock approach. Phys Rev A 71(1):012712
98. Scrinzi A (2012) t-SURFF: fully differential two-electron photo-emission spectra. New J
Phys 14(8):085008
99. Tao L, Scrinzi A (2012) Photo-electron momentum spectra from minimal volumes: the timedependent surface flux method. New J Phys 14(1):013021
100. Crawford-Uranga A, De Giovannini U, Mowbray DJ, Kurth S, Rubio A (2014) Modelling the
effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene.
J Phys B At Mol Phys 47(12):124018
270
A.H. Larsen et al.
PT-symmetric quantum mechanics. Phys Rev B 90(8):085104
79. Varga K, Pantelides S (2007) Quantum transport in molecules and nanotube devices.
Phys Rev Lett 98(7):076804
80. Wibking BD, Varga K (2012) Quantum mechanics with complex injecting potentials.
Phys Lett A 376(4):365–369
81. Muga J, Palao JP, Navarro B, Egusquiza IL (2004) Complex absorbing potentials. Phys Rep
395(6):357–426
82. Andrade X, Aspuru-Guzik A (2011) Prediction of the derivative discontinuity in density
functional theory from an electrostatic description of the exchange and correlation potential.
Phys Rev Lett 107(18):183002
83. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple.
Phys Rev Lett 77(18):3865–3868
84. Crawford-Uranga A, De Giovannini U, Ra ¨sa ¨nen E, Oliveira MJT, Mowbray DJ,
Nikolopoulos GM, Karamatskos ET, Markellos D, Lambropoulos P, Kurth S, Rubio A
(2014) Time-dependent density-functional theory of strong-field ionization of atoms by
soft X-rays. Phys Rev A 90(3):033412
85. Krause J, Schafer K, Kulander K (1992) Calculation of photoemission from atoms subject to
intense laser fields. Phys Rev A 45(7):4998–5010
86. Kulander K, Mies F, Schafer K (1996) Model for studies of laser-induced nonlinear processes
in molecules. Phys Rev A 53(4):2562–2570
87. Lein M, Marangos J, Knight P (2002) Electron diffraction in above-threshold ionization of
molecules. Phys Rev A 66(5):051404R
88. Chelkowski S, Foisy C, Bandrauk AD (1998) Electron–nuclear dynamics of multiphoton H 2
+
dissociative ionization in intense laser fields. Phys Rev A 57(2):1176–1185
89. Grobe R, Haan S, Eberly J (1999) A split-domain algorithm for time-dependent multielectron wave functions. Comput Phys Commun 117(3):200–210
90. De Giovannini U, Varsano D, Marques MAL, Appel H, Gross EKU, Rubio A (2012) Ab initio
angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory. Phys Rev A 85:062515
91. Shemer O, Brisker D, Moiseyev N (2005) Optimal reflection-free complex absorbing potentials for quantum propagation of wave packets. Phys Rev A 71(3):032716
92. McCurdy CW, Stroud C, Wisinski M (1991) Solving the time-dependent Schr€ odinger
equation using complex-coordinate contours. Phys Rev A 43(11):5980–5990
93. Riss UV, Meyer HD (1995) Reflection-free complex absorbing potentials. J Phys B At Mol
Opt 28(8):1475–1493
94. Sosnova KE, Telnov DA, Rozenbaum EB, Chu SI (2014) Exterior complex scaling method in
TDDFT: HHG of Ar atoms in intense laser fields. J Phys Conf Ser 488(1):012022
95. Pohl A, Reinhard PG, Suraud E (2000) Towards single-particle spectroscopy of small metal
clusters. Phys Rev Lett 84(22):5090–5093
96. Dinh PM, Romaniello P, Reinhard PG, Suraud E (2013) Calculation of photoelectron spectra:
a mean-field-based scheme. Phys Rev A 87(3):032514
97. Caillat J, Zanghellini J, Kitzler M, Koch O, Kreuzer W, Scrinzi A (2005) Correlated
multielectron systems in strong laser fields: a multiconfiguration time-dependent Hartree–
Fock approach. Phys Rev A 71(1):012712
98. Scrinzi A (2012) t-SURFF: fully differential two-electron photo-emission spectra. New J
Phys 14(8):085008
99. Tao L, Scrinzi A (2012) Photo-electron momentum spectra from minimal volumes: the timedependent surface flux method. New J Phys 14(1):013021
100. Crawford-Uranga A, De Giovannini U, Mowbray DJ, Kurth S, Rubio A (2014) Modelling the
effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene.
J Phys B At Mol Phys 47(12):124018
270
A.H. Larsen et al.