-
1
-
-
10644250257
-
-
0031-899X 10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
2
-
-
0042113153
-
-
0031-899X 10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. 0031-899X 10.1103/PhysRev.140.A1133 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
3
-
-
77958108918
-
-
0020-7608 10.1002/qua.22895
-
M. Levy, Int. J. Quantum Chem. 0020-7608 10.1002/qua.22895 110, 3140 (2010).
-
(2010)
Int. J. Quantum Chem.
, vol.110
, pp. 3140
-
-
Levy, M.1
-
5
-
-
70349748795
-
-
0166-1280 10.1016/j.theochem.2009.08.018
-
M. E. Casida, J. Mol. Struct., Theochem 0166-1280 10.1016/j.theochem. 2009.08.018 914, 3 (2009).
-
(2009)
J. Mol. Struct., Theochem
, vol.914
, pp. 3
-
-
Casida, M.E.1
-
6
-
-
0003759441
-
-
in World Scientific, Singapore
-
M. E. Casida and D. P. Chong, in Recent Advances in Density Functional Methods, Part1 (World Scientific, Singapore, 1995), p. 155.
-
(1995)
Recent Advances in Density Functional Methods, Part1
, pp. 155
-
-
Casida, M.E.1
Chong, D.P.2
-
8
-
-
33750576113
-
-
0065-3276 10.1016/S0065-3276(03)42061-3
-
A. Nagy, Adv. Quantum Chem. 0065-3276 10.1016/S0065-3276(03)42061-3 42, 363 (2003).
-
(2003)
Adv. Quantum Chem.
, vol.42
, pp. 363
-
-
Nagy, A.1
-
9
-
-
68549109955
-
-
in edited by P. K. Chattaraj (Taylor and Francis, Boca Raton
-
A. Nagy, M. Levy, and P. W. Ayers, in Chemical Reactivity Theory: A Density Functional View, edited by, P. K. Chattaraj, (Taylor and Francis, Boca Raton, 2009), p. 121.
-
(2009)
Chemical Reactivity Theory: A Density Functional View
, pp. 121
-
-
Nagy, A.1
Levy, M.2
Ayers, P.W.3
-
10
-
-
33645496575
-
-
1098-0121 10.1103/PhysRevB.31.6264
-
J. P. Perdew and M. Levy, Phys. Rev. B 1098-0121 10.1103/PhysRevB.31.6264 31, 6264 (1985).
-
(1985)
Phys. Rev. B
, vol.31
, pp. 6264
-
-
Perdew, J.P.1
Levy, M.2
-
11
-
-
4243502702
-
-
0022-3719 10.1088/0022-3719/12/24/013
-
A. K. Theophilou, J. Phys. C 0022-3719 10.1088/0022-3719/12/24/013 12, 5419 (1979).
-
(1979)
J. Phys. C
, vol.12
, pp. 5419
-
-
Theophilou, A.K.1
-
13
-
-
3843069771
-
-
0020-7608 10.1002/(SICI)1097-461X(1997)61:2<333::AID-QUA16>3.0. CO;2-C
-
A. K. Theophilou, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:2<333::AID-QUA16>3.0.CO;2-C 61, 333 (1997).
-
(1997)
Int. J. Quantum Chem.
, vol.61
, pp. 333
-
-
Theophilou, A.K.1
-
16
-
-
0000573260
-
-
1050-2947 10.1103/PhysRevA.34.737
-
W. Kohn, Phys. Rev. A 1050-2947 10.1103/PhysRevA.34.737 34, 737 (1986).
-
(1986)
Phys. Rev. A
, vol.34
, pp. 737
-
-
Kohn, W.1
-
17
-
-
0001505307
-
-
1050-2947 10.1103/PhysRevA.52.R4313
-
M. Levy, Phys. Rev. A 1050-2947 10.1103/PhysRevA.52.R4313 52, R4313 (1995).
-
(1995)
Phys. Rev. A
, vol.52
, pp. 4313
-
-
Levy, M.1
-
19
-
-
0000947119
-
-
0031-9007 10.1103/PhysRevLett.83.4361
-
M. Levy and A. Nagy, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.83. 4361 83, 4361 (1999).
-
(1999)
Phys. Rev. Lett.
, vol.83
, pp. 4361
-
-
Levy, M.1
Nagy, A.2
-
20
-
-
0000775785
-
-
1050-2947 10.1103/PhysRevA.59.1687
-
M. Levy and A. Nagy, Phys. Rev. A 1050-2947 10.1103/PhysRevA.59.1687 59, 1687 (1999).
-
(1999)
Phys. Rev. A
, vol.59
, pp. 1687
-
-
Levy, M.1
Nagy, A.2
-
21
-
-
0035331824
-
-
1050-2947 10.1103/PhysRevA.63.052502
-
A. Nagy and M. Levy, Phys. Rev. A 1050-2947 10.1103/PhysRevA.63.052502 63, 052502 (2001).
-
(2001)
Phys. Rev. A
, vol.63
, pp. 052502
-
-
Nagy, A.1
Levy, M.2
-
22
-
-
84860544951
-
-
Ph.D. Dissertation, University of North Carolina at Chapel Hill
-
P. W. Ayers, Ph.D. Dissertation, University of North Carolina at Chapel Hill, 2001.
-
(2001)
-
-
Ayers, P.W.1
-
23
-
-
0038397484
-
-
0031-9007 10.1103/PhysRevLett.90.123001
-
V. Sahni and X. Y. Pan, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett. 90.123001 90, 123001 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 123001
-
-
Sahni, V.1
Pan, X.Y.2
-
24
-
-
68549099779
-
-
1050-2947 10.1103/PhysRevA.80.012508
-
P. W. Ayers and M. Levy, Phys. Rev. A 1050-2947 10.1103/PhysRevA.80. 012508 80, 012508 (2009).
-
(2009)
Phys. Rev. A
, vol.80
, pp. 012508
-
-
Ayers, P.W.1
Levy, M.2
-
25
-
-
65349144790
-
-
0021-9606 10.1063/1.3114988
-
T. Ziegler, M. Seth, M. Krykunov, J. Autschbach, and F. Wang, J. Chem. Phys. 0021-9606 10.1063/1.3114988 130, 154102 (2009).
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 154102
-
-
Ziegler, T.1
Seth, M.2
Krykunov, M.3
Autschbach, J.4
Wang, F.5
-
27
-
-
0038235632
-
-
1050-2947 10.1103/PhysRevA.59.3359
-
A. Gorling, Phys. Rev. A 1050-2947 10.1103/PhysRevA.59.3359 59, 3359 (1999).
-
(1999)
Phys. Rev. A
, vol.59
, pp. 3359
-
-
Gorling, A.1
-
28
-
-
19744381882
-
-
0031-9007 10.1103/PhysRevLett.93.173001
-
R. Gaudoin and K. Burke, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett. 93.173001 93, 173001 (2004).
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 173001
-
-
Gaudoin, R.1
Burke, K.2
-
29
-
-
18144365894
-
Erratum: Lack of Hohenberg-Kohn theorem for excited states (Physical Review Letters (2004) 93 (173001))
-
DOI 10.1103/PhysRevLett.94.029901, 029901
-
R. Gaudoin and K. Burke, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett. 94.029901 94, 029901 (E) (2005). (Pubitemid 40620194)
-
(2005)
Physical Review Letters
, vol.94
, Issue.2
, pp. 1
-
-
Gaudoin, R.1
Burke, K.2
-
30
-
-
26444456080
-
Local-density approximation for the exchange energy functional in excited-state density functional theory
-
DOI 10.1088/0953-4075/38/20/011, PII S0953407505015002
-
P. Samal and M. K. Harbola, J. Phys. B 0953-4075 10.1088/0953-4075/38/20/ 011 38, 3765 (2005). (Pubitemid 41426306)
-
(2005)
Journal of Physics B: Atomic, Molecular and Optical Physics
, vol.38
, Issue.20
, pp. 3765-3777
-
-
Samal, P.1
Harbola, M.K.2
-
31
-
-
31544471662
-
Density-to-potential map in time-independent excited-state density-functional theory
-
DOI 10.1016/j.cplett.2005.11.066, PII S0009261405018002
-
P. Samal, M. K. Harbola, and A. Holas, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2005.11.066 419, 217 (2006). (Pubitemid 43165839)
-
(2006)
Chemical Physics Letters
, vol.419
, Issue.1-3
, pp. 217-222
-
-
Samal, P.1
Harbola, M.K.2
Holas, A.3
-
32
-
-
0346541894
-
-
0020-7608 10.1002/(SICI)1097-461X(1998)70:4/5<681::AID-QUA14>3.0. CO;2-5
-
A. Nagy, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097-461X(1998)70: 4/5<681::AID-QUA14>3.0.CO;2-5 70, 681 (1998).
-
(1998)
Int. J. Quantum Chem.
, vol.70
, pp. 681
-
-
Nagy, A.1
-
33
-
-
84980086883
-
-
0010-3640 10.1002/cpa.3160100201
-
T. Kato, Commun. Pure Appl. Math. 0010-3640 10.1002/cpa.3160100201 10, 151 (1957).
-
(1957)
Commun. Pure Appl. Math.
, vol.10
, pp. 151
-
-
Kato, T.1
-
34
-
-
36849096810
-
-
0021-9606 10.1063/1.1727605
-
R. T. Pack and W. B. Brown, J. Chem. Phys. 0021-9606 10.1063/1.1727605 45, 556 (1966).
-
(1966)
J. Chem. Phys.
, vol.45
, pp. 556
-
-
Pack, R.T.1
Brown, W.B.2
-
35
-
-
36849121347
-
-
0021-9606 10.1063/1.1701443
-
E. Steiner, J. Chem. Phys. 0021-9606 10.1063/1.1701443 39, 2365 (1963).
-
(1963)
J. Chem. Phys.
, vol.39
, pp. 2365
-
-
Steiner, E.1
-
37
-
-
0000992874
-
-
0009-2614 10.1016/S0009-2614(00)01250-1
-
A. Nagy and K. D. Sen, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00) 01250-1 332, 154 (2000).
-
(2000)
Chem. Phys. Lett.
, vol.332
, pp. 154
-
-
Nagy, A.1
Sen, K.D.2
-
38
-
-
0033741831
-
-
0953-4075 10.1088/0953-4075/33/9/306
-
A. Nagy and K. D. Sen, J. Phys. B 0953-4075 10.1088/0953-4075/33/9/306 33, 1745 (2000).
-
(2000)
J. Phys. B
, vol.33
, pp. 1745
-
-
Nagy, A.1
Sen, K.D.2
-
39
-
-
0035828655
-
Ground- and excited-state cusp conditions for the electron density
-
DOI 10.1063/1.1402165
-
A. Nagy and K. D. Sen, J. Chem. Phys. 0021-9606 10.1063/1.1402165 115, 6300 (2001). (Pubitemid 33046605)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.14
, pp. 6300-6308
-
-
Nagy, A.1
Sen, K.D.2
-
41
-
-
0010101252
-
-
0021-9606 10.1063/1.432492
-
M. Levy and R. G. Parr, J. Chem. Phys. 0021-9606 10.1063/1.432492 64, 2707 (1976).
-
(1976)
J. Chem. Phys.
, vol.64
, pp. 2707
-
-
Levy, M.1
Parr, R.G.2
-
43
-
-
0000724274
-
-
1098-0121 10.1103/PhysRevB.31.3231
-
C. O. Almbladh and U. von Barth, Phys. Rev. B 1098-0121 10.1103/PhysRevB.31.3231 31, 3231 (1985).
-
(1985)
Phys. Rev. B
, vol.31
, pp. 3231
-
-
Almbladh, C.O.1
Von Barth, U.2
-
44
-
-
43649099363
-
-
in edited by J. S. Moller and D. Fedorov, Vol. 998
-
S. Fournais, M. Hoffmann-Ostenhof, T. Hoffmann-Ostenhof, and T. O. Sorensen, in Quantum Few-Body Systems, edited by, J. S. Moller, and, D. Fedorov, Vol. 998 (2008), p. 70.
-
(2008)
Quantum Few-Body Systems
, pp. 70
-
-
Fournais, S.1
Hoffmann-Ostenhof, M.2
Hoffmann-Ostenhof, T.3
Sorensen, T.O.4
-
45
-
-
24544463188
-
-
1050-2947 10.1103/PhysRevA.30.2745
-
M. Levy, J. P. Perdew, and V. Sahni, Phys. Rev. A 1050-2947 10.1103/PhysRevA.30.2745 30, 2745 (1984).
-
(1984)
Phys. Rev. A
, vol.30
, pp. 2745
-
-
Levy, M.1
Perdew, J.P.2
Sahni, V.3
-
46
-
-
65949122943
-
-
0021-9606 10.1063/1.3130044
-
D. Vanfleteren, D. Van Neck, P. W. Ayers, R. C. Morrison, and P. Bultinck, J. Chem. Phys. 0021-9606 10.1063/1.3130044 130, 194104 (2009).
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 194104
-
-
Vanfleteren, D.1
Van Neck, D.2
Ayers, P.W.3
Morrison, R.C.4
Bultinck, P.5
-
47
-
-
34547731387
-
-
0370-2693 10.1016/j.physletb.2007.06.071
-
B. G. Giraud, K. Kato, A. Ohnishi, and S. M. A. Rombouts, Phys. Lett. B 0370-2693 10.1016/j.physletb.2007.06.071 652, 69 (2007).
-
(2007)
Phys. Lett. B
, vol.652
, pp. 69
-
-
Giraud, B.G.1
Kato, K.2
Ohnishi, A.3
Rombouts, S.M.A.4
-
48
-
-
80054751597
-
-
0031-9007 10.1103/PhysRevLett.107.163002
-
D. L. Whitenack and A. Wasserman, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.107.163002 107, 163002 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 163002
-
-
Whitenack, D.L.1
Wasserman, A.2
-
49
-
-
33750590033
-
Exploring foundations of time-independent density functional theory for excited states
-
DOI 10.1088/0953-4075/39/20/005, PII S0953407506216559, 005
-
P. Samal and M. K. Harbola, J. Phys. B 0953-4075 10.1088/0953-4075/39/20/ 005 39, 4065 (2006). (Pubitemid 44679485)
-
(2006)
Journal of Physics B: Atomic, Molecular and Optical Physics
, vol.39
, Issue.20
, pp. 4065-4080
-
-
Samal, P.1
Harbola, M.K.2
-
50
-
-
63649159043
-
-
0953-4075 10.1088/0953-4075/42/1/015003
-
M. K. Harbola and P. Samal, J. Phys. B 0953-4075 10.1088/0953-4075/42/1/ 015003 42, 015003 (2009).
-
(2009)
J. Phys. B
, vol.42
, pp. 015003
-
-
Harbola, M.K.1
Samal, P.2
-
53
-
-
77953046867
-
-
0021-9606 10.1063/1.3443777
-
V. N. Glushkov and X. Assfeld, J. Chem. Phys. 0021-9606 10.1063/1.3443777 132, 204106 (2010).
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 204106
-
-
Glushkov, V.N.1
Assfeld, X.2
-
54
-
-
78249235883
-
-
0953-4075 10.1088/0953-4075/43/21/215002
-
M. Shamim and M. K. Harbola, J. Phys. B 0953-4075 10.1088/0953-4075/43/ 21/215002 43, 215002 (2010).
-
(2010)
J. Phys. B
, vol.43
, pp. 215002
-
-
Shamim, M.1
Harbola, M.K.2
-
56
-
-
0037146765
-
-
0009-2614 10.1016/S0009-2614(02)01612-3
-
F. Tasnadi and A. Nagy, Chem. Phys. Lett. 0009-2614 10.1016/S0009- 2614(02)01612-3 366, 496 (2002).
-
(2002)
Chem. Phys. Lett.
, vol.366
, pp. 496
-
-
Tasnadi, F.1
Nagy, A.2
-
57
-
-
0041382330
-
-
0021-9606 10.1063/1.1572452
-
F. Tasnadi and A. Nagy, J. Chem. Phys. 0021-9606 10.1063/1.1572452 119, 4141 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 4141
-
-
Tasnadi, F.1
Nagy, A.2
-
58
-
-
27844570799
-
-
0253-4134 10.1007/BF02708356
-
P. W. Ayers and M. Levy, J. Chem. Sci. 0253-4134 10.1007/BF02708356 117, 507 (2005).
-
(2005)
J. Chem. Sci.
, vol.117
, pp. 507
-
-
Ayers, P.W.1
Levy, M.2
-
59
-
-
32044437844
-
Generalizations of the hohenberg-kohn theorem: I. Legendre transform constructions of variational principles for density matrices and electron distribution functions
-
DOI 10.1063/1.2006087, 054101
-
P. W. Ayers, S. Golden, and M. Levy, J. Chem. Phys. 0021-9606 10.1063/1.2006087 124, 054101 (2006). (Pubitemid 43202664)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.5
, pp. 1-7
-
-
Ayers, P.W.1
Golden, S.2
Levy, M.3
-
60
-
-
70349263408
-
-
1050-2947 10.1103/PhysRevA.80.032510
-
P. W. Ayers and P. Fuentealba, Phys. Rev. A 1050-2947 10.1103/PhysRevA.80.032510 80, 032510 (2009).
-
(2009)
Phys. Rev. A
, vol.80
, pp. 032510
-
-
Ayers, P.W.1
Fuentealba, P.2
-
61
-
-
84860579166
-
-
Many external potentials that cannot be expressed in this form can still be approximated, to arbitrary precision, by an external potential with this form.
-
Many external potentials that cannot be expressed in this form can still be approximated, to arbitrary precision, by an external potential with this form.
-
-
-
-
62
-
-
84860550491
-
-
There is also a constructive proof. Select K spheres in the space of interest. By choosing appropriate point charges in the spheres, we can approximate the external potential outside the spheres to any desired accuracy, which is just the idea behind multipole expansions. Next, increase the number of spheres but decrease the size of the spheres, and repeat the approximation process. Continuing in this fashion, the spheres shrink to zero size and one eventually finds that the volume of space in which the external potential is inaccurately rendered (due to the presence of the approximating point charges) is a set of measure zero. This method of proof relies on the fact that any countable subset of the real numbers has measure zero.
-
There is also a constructive proof. Select K spheres in the space of interest. By choosing appropriate point charges in the spheres, we can approximate the external potential outside the spheres to any desired accuracy, which is just the idea behind multipole expansions. Next, increase the number of spheres but decrease the size of the spheres, and repeat the approximation process. Continuing in this fashion, the spheres shrink to zero size and one eventually finds that the volume of space in which the external potential is inaccurately rendered (due to the presence of the approximating point charges) is a set of measure zero. This method of proof relies on the fact that any countable subset of the real numbers has measure zero.
-
-
-
-
64
-
-
0001132752
-
-
0031-9007 10.1103/PhysRevLett.49.1691
-
J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz Jr., Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.49.1691 49, 1691 (1982).
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1691
-
-
Perdew, J.P.1
Parr, R.G.2
Levy, M.3
Balduz, Jr.J.L.4
-
65
-
-
3343011193
-
-
0031-9007 10.1103/PhysRevLett.51.1884
-
J. P. Perdew and M. Levy, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett. 51.1884 51, 1884 (1983).
-
(1983)
Phys. Rev. Lett.
, vol.51
, pp. 1884
-
-
Perdew, J.P.1
Levy, M.2
-
67
-
-
0000812676
-
-
1098-0121 10.1103/PhysRevB.56.16021
-
J. P. Perdew and M. Levy, Phys. Rev. B 1098-0121 10.1103/PhysRevB.56. 16021 56, 16021 (1997).
-
(1997)
Phys. Rev. B
, vol.56
, pp. 16021
-
-
Perdew, J.P.1
Levy, M.2
-
70
-
-
34250885869
-
Differentiability of lieb functional in electronic density functional theory
-
DOI 10.1002/qua.21342
-
P. E. Lammert, Int. J. Quantum Chem. 0020-7608 10.1002/qua.21342 107, 1943 (2007). (Pubitemid 46986915)
-
(2007)
International Journal of Quantum Chemistry
, vol.107
, Issue.10
, pp. 1943-1953
-
-
Lammert, P.E.1
-
74
-
-
84990669494
-
-
0020-7608 10.1002/qua.560240302
-
E. H. Lieb, Int. J. Quantum Chem. 0020-7608 10.1002/qua.560240302 24, 243 (1983).
-
(1983)
Int. J. Quantum Chem.
, vol.24
, pp. 243
-
-
Lieb, E.H.1
-
75
-
-
0000329098
-
-
0021-9606 10.1063/1.440656
-
S. M. Valone, J. Chem. Phys. 0021-9606 10.1063/1.440656 73, 4653 (1980).
-
(1980)
J. Chem. Phys.
, vol.73
, pp. 4653
-
-
Valone, S.M.1
-
78
-
-
37549070709
-
-
0259-9791 10.1007/s10910-006-9195-5
-
P. W. Ayers, J. Math. Chem. 0259-9791 10.1007/s10910-006-9195-5 43, 285 (2008).
-
(2008)
J. Math. Chem.
, vol.43
, pp. 285
-
-
Ayers, P.W.1
-
79
-
-
10044230569
-
-
1050-2947 10.1103/PhysRevA.26.1200
-
M. Levy, Phys. Rev. A 1050-2947 10.1103/PhysRevA.26.1200 26, 1200 (1982).
-
(1982)
Phys. Rev. A
, vol.26
, pp. 1200
-
-
Levy, M.1
-
80
-
-
76749168552
-
-
0031-9007 10.1103/PhysRevLett.104.073001
-
R. Baer, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.104.073001 104, 073001 (2010).
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 073001
-
-
Baer, R.1
-
81
-
-
2942683313
-
-
0021-9606 10.1063/1.1729856
-
F. De Proft, P. W. Ayers, K. D. Sen, and P. Geerlings, J. Chem. Phys. 0021-9606 10.1063/1.1729856 120, 9969 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9969
-
-
De Proft, F.1
Ayers, P.W.2
Sen, K.D.3
Geerlings, P.4
|