70. Cioslowski J, Pernal K (2002) Density matrix functional theory of weak intermolecular
interactions. J Chem Phys 116(12):4802–4807. doi:10.1063/1.1446028
71. Cioslowski J, Ziesche P, Pernal K (2001) Description of a high-density homogeneous
electron gas with the Yasuda density matrix functional. J Chem Phys 115(19):8725–8730.
doi:10.1063/1.1412604
72. Cioslowski J, Pernal K (2002) Variational density matrix functional theory calculations with
the lowest-order Yasuda functional. J Chem Phys 117(1):67–71. doi:10.1063/1.1481384
73. Cioslowski J, Buchowiecki M, Ziesche P (2003) Density matrix functional theory of fourelectron systems. J Chem Phys 119(22):11570–11573. doi:10.1063/1.1623741
74. Kollmar C, Hess BA (2003) A new approach to density matrix functional theory. J Chem
Phys 119(9):4655–4661. doi:10.1063/1.1590635
75. Kollmar C, Hess BA (2004) The structure of the second-order reduced density matrix in
density matrix functional theory and its construction from formal criteria. J Chem Phys 120
(7):3158–3171. doi:10.1063/1.1634554
76. Kollmar C (2004) The “JK-only” approximation in density matrix functional and wave
function theory. J Chem Phys 121(23):11581–11586. doi:10.1063/1.1819319
77. Pernal K (2010) Long-range density-matrix-functional theory: application to a modified
homogeneous electron gas. Phys Rev A 81(5):052511. doi:10.1103/PhysRevA.81.052511
78. Rohr DR, Toulouse J, Pernal K (2010) Combining density-functional theory and densitymatrix-functional theory. Phys Rev A 82(5):052502. doi:10.1103/PhysRevA.82.052502
79. Stoll H, Savin A (1985) Density functionals for correlation energies of atoms and molecules.
In: Dreizler R, da Providencia J (eds) Density functional methods in physics. Plenum,
New York, pp 177–207
80. Toulouse J, Colonna F, Savin A (2004) Long-range-short-range separation of the electron–
electron interaction in density-functional theory. Phys Rev A 70(6):062505. doi:10.1103/
PhysRevA.70.062505
81. Goll E, Werner HJ, Stoll H (2005) A short-range gradient-corrected density functional in
long-range coupled-cluster calculations for rare gas dimers. Phys Chem Chem Phys 7
(23):3917–3923. doi:10.1039/b509242f
82. Lathiotakis NN, Helbig N, Gross EKU (2007) Performance of one-body reduced densitymatrix functionals for the homogeneous electron gas. Phys Rev B 75(19):195120.
doi:10.1103/PhysRevB.75.195120
83. Cioslowski J, Pernal K (2000) Description of a homogeneous electron gas with simple
functionals of the one-particle density matrix. Phys Rev A 61(3):034503
84. Sharma S, Dewhurst JK, Lathiotakis NN, Gross EKU (2008) Reduced density matrix
functional for many-electron systems. Phys Rev B 78(20):201103. doi:10.1103/PhysRevB.
78.201103
85. Lathiotakis NN, Helbig N, Zacarias A, Gross EKU (2009) A functional of the one-bodyreduced density matrix derived from the homogeneous electron gas: performance for finite
systems. J Chem Phys 130(6):064109. doi:10.1063/1.3073053
86. Lathiotakis NN, Sharma S, Dewhurst JK, Eich FG, Marques MAL, Gross EKU (2009)
Density-matrix-power functional: performance for finite systems and the homogeneous
electron gas. Phys Rev A 79(4):040501. doi:10.1103/PhysRevA.79.040501
87. Marques MAL, Lathiotakis NN (2008) Empirical functionals for reduced-density-matrixfunctional theory. Phys Rev A 77(3):032509. doi:10.1103/PhysRevA.77.032509
88. Cioslowski J, Ziesche P, Pernal K (2001) On the exactness of simple natural spin-orbital
functionals for a high-density homogeneous electron gas. Phys Rev B 63(20):205105
89. Cioslowski J, Pernal K (1999) Constraints upon natural spin orbital functionals imposed by
properties of a homogeneous electron gas. J Chem Phys 111(8):3396–3400. doi:10.1063/1.
479623
90. Sharma S, Dewhurst JK, Shallcross S, Gross EKU (2013) Spectral density and metalinsulator phase transition in Mott insulators within reduced density matrix functional theory.
Phys Rev Lett 110(11):116403. doi:10.1103/PhysRevLett.110.116403
Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time. . .
179
interactions. J Chem Phys 116(12):4802–4807. doi:10.1063/1.1446028
71. Cioslowski J, Ziesche P, Pernal K (2001) Description of a high-density homogeneous
electron gas with the Yasuda density matrix functional. J Chem Phys 115(19):8725–8730.
doi:10.1063/1.1412604
72. Cioslowski J, Pernal K (2002) Variational density matrix functional theory calculations with
the lowest-order Yasuda functional. J Chem Phys 117(1):67–71. doi:10.1063/1.1481384
73. Cioslowski J, Buchowiecki M, Ziesche P (2003) Density matrix functional theory of fourelectron systems. J Chem Phys 119(22):11570–11573. doi:10.1063/1.1623741
74. Kollmar C, Hess BA (2003) A new approach to density matrix functional theory. J Chem
Phys 119(9):4655–4661. doi:10.1063/1.1590635
75. Kollmar C, Hess BA (2004) The structure of the second-order reduced density matrix in
density matrix functional theory and its construction from formal criteria. J Chem Phys 120
(7):3158–3171. doi:10.1063/1.1634554
76. Kollmar C (2004) The “JK-only” approximation in density matrix functional and wave
function theory. J Chem Phys 121(23):11581–11586. doi:10.1063/1.1819319
77. Pernal K (2010) Long-range density-matrix-functional theory: application to a modified
homogeneous electron gas. Phys Rev A 81(5):052511. doi:10.1103/PhysRevA.81.052511
78. Rohr DR, Toulouse J, Pernal K (2010) Combining density-functional theory and densitymatrix-functional theory. Phys Rev A 82(5):052502. doi:10.1103/PhysRevA.82.052502
79. Stoll H, Savin A (1985) Density functionals for correlation energies of atoms and molecules.
In: Dreizler R, da Providencia J (eds) Density functional methods in physics. Plenum,
New York, pp 177–207
80. Toulouse J, Colonna F, Savin A (2004) Long-range-short-range separation of the electron–
electron interaction in density-functional theory. Phys Rev A 70(6):062505. doi:10.1103/
PhysRevA.70.062505
81. Goll E, Werner HJ, Stoll H (2005) A short-range gradient-corrected density functional in
long-range coupled-cluster calculations for rare gas dimers. Phys Chem Chem Phys 7
(23):3917–3923. doi:10.1039/b509242f
82. Lathiotakis NN, Helbig N, Gross EKU (2007) Performance of one-body reduced densitymatrix functionals for the homogeneous electron gas. Phys Rev B 75(19):195120.
doi:10.1103/PhysRevB.75.195120
83. Cioslowski J, Pernal K (2000) Description of a homogeneous electron gas with simple
functionals of the one-particle density matrix. Phys Rev A 61(3):034503
84. Sharma S, Dewhurst JK, Lathiotakis NN, Gross EKU (2008) Reduced density matrix
functional for many-electron systems. Phys Rev B 78(20):201103. doi:10.1103/PhysRevB.
78.201103
85. Lathiotakis NN, Helbig N, Zacarias A, Gross EKU (2009) A functional of the one-bodyreduced density matrix derived from the homogeneous electron gas: performance for finite
systems. J Chem Phys 130(6):064109. doi:10.1063/1.3073053
86. Lathiotakis NN, Sharma S, Dewhurst JK, Eich FG, Marques MAL, Gross EKU (2009)
Density-matrix-power functional: performance for finite systems and the homogeneous
electron gas. Phys Rev A 79(4):040501. doi:10.1103/PhysRevA.79.040501
87. Marques MAL, Lathiotakis NN (2008) Empirical functionals for reduced-density-matrixfunctional theory. Phys Rev A 77(3):032509. doi:10.1103/PhysRevA.77.032509
88. Cioslowski J, Ziesche P, Pernal K (2001) On the exactness of simple natural spin-orbital
functionals for a high-density homogeneous electron gas. Phys Rev B 63(20):205105
89. Cioslowski J, Pernal K (1999) Constraints upon natural spin orbital functionals imposed by
properties of a homogeneous electron gas. J Chem Phys 111(8):3396–3400. doi:10.1063/1.
479623
90. Sharma S, Dewhurst JK, Shallcross S, Gross EKU (2013) Spectral density and metalinsulator phase transition in Mott insulators within reduced density matrix functional theory.
Phys Rev Lett 110(11):116403. doi:10.1103/PhysRevLett.110.116403
Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time. . .
179