36. Moiseyev N, Corcoran C (1979) Autoionizing states of H 2 and H 2
À using the complexscaling method. Phys Rev A 20:814–817. doi:10.1103/PhysRevA.20.814, http://link.aps.org/
doi/10.1103/PhysRevA.20.814
37. Morgan JD, Simon B (1981) The calculation of molecular resonances by complex scaling.
J Phys B At Mol Opt 14(5):L167
38. Scrinzi A (2010) Infinite-range exterior complex scaling as a perfect absorber in timedependent problems. Phys Rev A 81(5):053845
39. Moiseyev N (1999) Derivations of universal exact complex absorption potentials by the
generalized complex coordinate method. J Phys B At Mol Opt 31(7):1431–1441
40. Krylstedt P, Carlsund C, Elander N (1989) On the calculation of electron–atom collision
properties using exterior complex dilatated s-matrix expansions. J Phys B At Mol Opt 22(7):
1051, http://stacks.iop.org/0953-4075/22/i ¼ 7/a ¼ 014
41. Rescigno TN, Baertschy M, Byrum D, McCurdy CW (1997) Making complex scaling work
for long-range potentials. Phys Rev A 55:4253–4262. doi:10.1103/PhysRevA.55.4253,
http://link.aps.org/doi/10.1103/PhysRevA.55.4253
42. Scrinzi A, Elander N (1993) A finite element implementation of exterior complex scaling for
the accurate determination of resonance energies. J Chem Phys 98(5):3866–3875. doi:10.
1063/1.464014, http://scitation.aip.org/content/aip/journal/jcp/98/5/10.1063/1.464014
43. Simons J (1980) The complex coordinate rotation method and exterior scaling: a simple
example. Int J Quantum Chem 18(S14):113–121. doi:10.1002/qua.560180814, http://dx.doi.
org/10.1002/qua.560180814
44. Kar S, Ho YK (2009) Isotope shift for the
1
D
e autodetaching resonance in H
À and D
À
. J Phys
B At Mol Opt 42(5):055001, http://stacks.iop.org/0953-4075/42/i ¼ 5/a ¼ 055001
45. Scrinzi A, Geissler M, Brabec T (1999) Ionization above the Coulomb barrier. Phys Rev Lett
83:706–709.
doi:10.1103/PhysRevLett.83.706,
http://link.aps.org/doi/10.1103/
PhysRevLett.83.706
46. McCurdy CW, Rescigno TN, Davidson ER, Lauderdale JG (1980) Applicability of selfconsistent field techniques based on the complex coordinate method to metastable electronic
states. J Chem Phys 73(7):3268–3273. doi:10.1063/1.440522, http://scitation.aip.org/content/
aip/journal/jcp/73/7/10.1063/1.440522
47. Samanta K, Yeager DL (2008) Investigation of
2
P Be
À shape resonances using a quadratically convergent complex multiconfigurational self-consistent field method. J Phys Chem B
112(50):16214–16219. doi:10.1021/jp806998n, http://dx.doi.org/10.1021/jp806998n
48. Zda ´nska ´ PR, Moiseyev N (2005) Hartree–Fock orbitals for complex-scaled configuration
interaction calculation of highly excited Feshbach resonances. J Chem Phys 123(19):194105.
doi:10.1063/1.2110169,
http://scitation.aip.org/content/aip/journal/jcp/123/19/10.1063/
1.2110169
49. Larsen AH, Whitenack DL, De Giovannini U, Wasserman A, Rubio A (2013) Stark ionization of atoms and molecules within density functional resonance theory. J Phys Chem Lett
4:2734–2738
50. Whitenack DL, Wasserman A (2011) Density functional resonance theory of unbound
electronic systems. Phys Rev Lett 107(16):163002
51. Wasserman A, Moiseyev N (2007) Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems. Phys Rev Lett 98:093003. doi:10.1103/PhysRevLett.98.093003,
http://link.aps.org/doi/10.1103/PhysRevLett.98.093003
52. Perdew JP, Wang Y (1992) Accurate and simple analytic representation of the electron-gas
correlation energy. Phys Rev B 45:13244–13249. doi:10.1103/PhysRevB.45.13244,
http://link.aps.org/doi/10.1103/PhysRevB.45.13244
53. Telnov DA, Sosnova KE, Rozenbaum E, Chu SI (2013) Exterior complex scaling method in
time-dependent density-functional theory: multiphoton ionization and high-order-harmonic
generation of Ar atoms. Phys Rev A 87(5):053406
268
A.H. Larsen et al.
À using the complexscaling method. Phys Rev A 20:814–817. doi:10.1103/PhysRevA.20.814, http://link.aps.org/
doi/10.1103/PhysRevA.20.814
37. Morgan JD, Simon B (1981) The calculation of molecular resonances by complex scaling.
J Phys B At Mol Opt 14(5):L167
38. Scrinzi A (2010) Infinite-range exterior complex scaling as a perfect absorber in timedependent problems. Phys Rev A 81(5):053845
39. Moiseyev N (1999) Derivations of universal exact complex absorption potentials by the
generalized complex coordinate method. J Phys B At Mol Opt 31(7):1431–1441
40. Krylstedt P, Carlsund C, Elander N (1989) On the calculation of electron–atom collision
properties using exterior complex dilatated s-matrix expansions. J Phys B At Mol Opt 22(7):
1051, http://stacks.iop.org/0953-4075/22/i ¼ 7/a ¼ 014
41. Rescigno TN, Baertschy M, Byrum D, McCurdy CW (1997) Making complex scaling work
for long-range potentials. Phys Rev A 55:4253–4262. doi:10.1103/PhysRevA.55.4253,
http://link.aps.org/doi/10.1103/PhysRevA.55.4253
42. Scrinzi A, Elander N (1993) A finite element implementation of exterior complex scaling for
the accurate determination of resonance energies. J Chem Phys 98(5):3866–3875. doi:10.
1063/1.464014, http://scitation.aip.org/content/aip/journal/jcp/98/5/10.1063/1.464014
43. Simons J (1980) The complex coordinate rotation method and exterior scaling: a simple
example. Int J Quantum Chem 18(S14):113–121. doi:10.1002/qua.560180814, http://dx.doi.
org/10.1002/qua.560180814
44. Kar S, Ho YK (2009) Isotope shift for the
1
D
e autodetaching resonance in H
À and D
À
. J Phys
B At Mol Opt 42(5):055001, http://stacks.iop.org/0953-4075/42/i ¼ 5/a ¼ 055001
45. Scrinzi A, Geissler M, Brabec T (1999) Ionization above the Coulomb barrier. Phys Rev Lett
83:706–709.
doi:10.1103/PhysRevLett.83.706,
http://link.aps.org/doi/10.1103/
PhysRevLett.83.706
46. McCurdy CW, Rescigno TN, Davidson ER, Lauderdale JG (1980) Applicability of selfconsistent field techniques based on the complex coordinate method to metastable electronic
states. J Chem Phys 73(7):3268–3273. doi:10.1063/1.440522, http://scitation.aip.org/content/
aip/journal/jcp/73/7/10.1063/1.440522
47. Samanta K, Yeager DL (2008) Investigation of
2
P Be
À shape resonances using a quadratically convergent complex multiconfigurational self-consistent field method. J Phys Chem B
112(50):16214–16219. doi:10.1021/jp806998n, http://dx.doi.org/10.1021/jp806998n
48. Zda ´nska ´ PR, Moiseyev N (2005) Hartree–Fock orbitals for complex-scaled configuration
interaction calculation of highly excited Feshbach resonances. J Chem Phys 123(19):194105.
doi:10.1063/1.2110169,
http://scitation.aip.org/content/aip/journal/jcp/123/19/10.1063/
1.2110169
49. Larsen AH, Whitenack DL, De Giovannini U, Wasserman A, Rubio A (2013) Stark ionization of atoms and molecules within density functional resonance theory. J Phys Chem Lett
4:2734–2738
50. Whitenack DL, Wasserman A (2011) Density functional resonance theory of unbound
electronic systems. Phys Rev Lett 107(16):163002
51. Wasserman A, Moiseyev N (2007) Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems. Phys Rev Lett 98:093003. doi:10.1103/PhysRevLett.98.093003,
http://link.aps.org/doi/10.1103/PhysRevLett.98.093003
52. Perdew JP, Wang Y (1992) Accurate and simple analytic representation of the electron-gas
correlation energy. Phys Rev B 45:13244–13249. doi:10.1103/PhysRevB.45.13244,
http://link.aps.org/doi/10.1103/PhysRevB.45.13244
53. Telnov DA, Sosnova KE, Rozenbaum E, Chu SI (2013) Exterior complex scaling method in
time-dependent density-functional theory: multiphoton ionization and high-order-harmonic
generation of Ar atoms. Phys Rev A 87(5):053406
268
A.H. Larsen et al.