-
1
-
-
77955391821
-
-
PRLTAO 1098-0121 10.1103/PhysRevB.81.165108
-
A. Erba, C. Pisani, S. Casassa, L. Maschio, M. Schütz, and D. Usvyat, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.81.165108 81, 165108 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 165108
-
-
Erba, A.1
Pisani, C.2
Casassa, S.3
Maschio, L.4
Schütz, M.5
Usvyat, D.6
-
2
-
-
2342628971
-
-
PRLTAO 0471-4452 10.1002/0471484237.ch5
-
A. J. Thakkar, Adv. Chem. Phys. PRLTAO 0471-4452 10.1002/0471484237.ch5 128, 303 (2004).
-
(2004)
Adv. Chem. Phys.
, vol.128
, pp. 303
-
-
Thakkar, A.J.1
-
3
-
-
33745771079
-
Exact Kohn-Sham versus Hartree-Fock in momentum space: Examples of two-fermion systems
-
DOI 10.1063/1.2212935
-
S. Ragot, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2212935 125, 014106 (2006). (Pubitemid 44025477)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.1
, pp. 014106
-
-
Ragot, S.1
-
4
-
-
17644367164
-
Moments of the electron momentum density: Requirements for ab initio and density functional theory calculations
-
DOI 10.1002/qua.20444
-
J. R. Hart and A. J. Thakkar, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.20444 102, 673 (2005). (Pubitemid 40566737)
-
(2005)
International Journal of Quantum Chemistry
, vol.102
, Issue.5 SPEC. ISS.
, pp. 673-683
-
-
Hart, J.R.1
Thakkar, A.J.2
-
5
-
-
11944255981
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.74.2252
-
Y. Sakurai, Y. Tanaka, A. Bansil, S. Kaprzyk, A. T. Stewart, Y. Nagashima, T. Hyodo, S. Nanao, H. Kawata, and N. Shiotani, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.2252 74, 2252 (1995).
-
(1995)
Phys. Rev. Lett.
, vol.74
, pp. 2252
-
-
Sakurai, Y.1
Tanaka, Y.2
Bansil, A.3
Kaprzyk, S.4
Stewart, A.T.5
Nagashima, Y.6
Hyodo, T.7
Nanao, S.8
Kawata, H.9
Shiotani, N.10
-
6
-
-
0001118126
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.75.1984
-
C. Blaas, J. Redinger, S. Manninen, V. Honkimäki, K. Hämäläinen, and P. Suortti, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.1984 75, 1984 (1995).
-
(1995)
Phys. Rev. Lett.
, vol.75
, pp. 1984
-
-
Blaas, C.1
Redinger, J.2
Manninen, S.3
Honkimäki, V.4
Hämälä inen, K.5
Suortti, P.6
-
7
-
-
19744382596
-
-
PRLTAO 1098-0121 10.1103/PhysRevB.70.125413
-
M. Hakala, S. Huotari, K. Hämäläinen, S. Manninen, P. Wernet, A. Nilsson, and L. G. M. Pettersson, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.70.125413 70, 125413 (2004).
-
(2004)
Phys. Rev. B
, vol.70
, pp. 125413
-
-
Hakala, M.1
Huotari, S.2
Hämäläinen, K.3
Manninen, S.4
Wernet, P.5
Nilsson, A.6
Pettersson, L.G.M.7
-
8
-
-
33144481992
-
Intra- and intermolecular effects in the Compton profile of water
-
DOI 10.1103/PhysRevB.73.035432, 035432
-
M. Hakala, K. Nygård, S. Manninen, L. G. M. Pettersson, and K. Hämäläinen, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.73. 035432 73, 035432 (2006). (Pubitemid 43270595)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.3
, pp. 1-9
-
-
Hakala, M.1
Nygard, K.2
Manninen, S.3
Pettersson, L.G.M.4
Hamalainen, K.5
-
9
-
-
41649093765
-
Compton scatter profiles for warm dense matter
-
DOI 10.1103/PhysRevE.77.046402
-
S. Sahoo, G. F. Gribakin, G. Shabbir Naz, J. Kohanoff, and D. Riley, Phys. Rev. E PRLTAO 1539-3755 10.1103/PhysRevE.77.046402 77, 046402 (2008). (Pubitemid 351483553)
-
(2008)
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
, vol.77
, Issue.4
, pp. 046402
-
-
Sahoo, S.1
Gribakin, G.F.2
Shabbir Naz, G.3
Kohanoff, J.4
Riley, D.5
-
10
-
-
0345303831
-
-
PRLTAO 1098-0121 10.1103/PhysRevB.68.132204
-
J. T. Okada, Y. Watanabe, S. Nanao, R. Tamura, S. Takeuchi, Y. Yokoyama, N. Hiraoka, M. Itou, and Y. Sakurai, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.68.132204 68, 132204 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 132204
-
-
Okada, J.T.1
Watanabe, Y.2
Nanao, S.3
Tamura, R.4
Takeuchi, S.5
Yokoyama, Y.6
Hiraoka, N.7
Itou, M.8
Sakurai, Y.9
-
11
-
-
33144482937
-
Ion hydration studied by x-ray Compton scattering
-
DOI 10.1103/PhysRevB.73.024208, 024208
-
K. Nygård, M. Hakala, S. Manninen, K. Hämäläinen, M. Itou, A. Andrejczuk, and Y. Sakurai, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.73.024208 73, 024208 (2006). (Pubitemid 43270472)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.2
, pp. 1-9
-
-
Nygard, K.1
Hakala, M.2
Manninen, S.3
Hamalainen, K.4
Itou, M.5
Andrejczuk, A.6
Sakurai, Y.7
-
12
-
-
28844481555
-
Fermi surface nesting in Ba1-x Kx Bi O3 observed by Compton profile measurement
-
DOI 10.1103/PhysRevB.71.205106, 205106
-
N. Hiraoka, T. Buslaps, V. Honkimäki, H. Minami, and H. Uwe, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.71.205106 71, 205106 (2005). (Pubitemid 41760318)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.71
, Issue.20
, pp. 1-6
-
-
Hiraoka, N.1
Buslaps, T.2
Honkimaki, V.3
Minami, H.4
Uwe, H.5
-
13
-
-
33846449115
-
-
PRLTAO 1098-0121 10.1103/PhysRevB.75.014428
-
P. E. Mijnarends, S. Kaprzyk, B. Barbiellini, Y. Li, J. F. Mitchell, P. A. Montano, and A. Bansil, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.75. 014428 75, 014428 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 014428
-
-
Mijnarends, P.E.1
Kaprzyk, S.2
Barbiellini, B.3
Li, Y.4
Mitchell, J.F.5
Montano, P.A.6
Bansil, A.7
-
14
-
-
66049160893
-
-
PRLTAO 1098-0121 10.1103/PhysRevB.79.155115
-
B. Barbiellini, C. Bellin, G. Loupias, T. Buslaps, and A. Shukla, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.79.155115 79, 155115 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 155115
-
-
Barbiellini, B.1
Bellin, C.2
Loupias, G.3
Buslaps, T.4
Shukla, A.5
-
15
-
-
0037096495
-
-
PRLTAO 1098-0121 10.1103/PhysRevB.65.235115
-
S. Ragot, J.-M. Gillet, and P. J. Becker, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.65.235115 65, 235115 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 235115
-
-
Ragot, S.1
Gillet, J.-M.2
Becker, P.J.3
-
16
-
-
33646265078
-
Electronic stucture of methane hydrate studied by Compton scattering
-
DOI 10.1103/PhysRevB.73.195104
-
C. Sternemann, S. Huotari, M. Hakala, M. Paulus, M. Volmer, C. Gutt, T. Buslaps, N. Hiraoka, D. D. Klug, K. Hämäläinen, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.73.195104 73, 195104 (2006). (Pubitemid 43660031)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.19
, pp. 195104
-
-
Sternemann, C.1
Huotari, S.2
Hakala, M.3
Paulus, M.4
Volmer, M.5
Gutt, C.6
Buslaps, T.7
Hiraoka, N.8
Klug, D.D.9
Hamalainen, K.10
Tolan, M.11
Tse, J.S.12
-
17
-
-
0035425219
-
-
PRLTAO 1098-0121 10.1103/PhysRevB.64.052101
-
A. Shukla, E. D. Isaacs, D. R. Hamann, and P. M. Platzman, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.64.052101 64, 052101 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 052101
-
-
Shukla, A.1
Isaacs, E.D.2
Hamann, D.R.3
Platzman, P.M.4
-
18
-
-
78650454130
-
-
PPCPFQ 1463-9076 10.1039/c0cp01604g
-
C. Pisani, M. Itou, Y. Sakurai, R. Yamaki, M. Ito, A. Erba, and L. Maschio, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/c0cp01604g 13, 933 (2011).
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 933
-
-
Pisani, C.1
Itou, M.2
Sakurai, Y.3
Yamaki, R.4
Ito, M.5
Erba, A.6
Maschio, L.7
-
19
-
-
22944484705
-
Local-MP2 electron correlation method for nonconducting crystals
-
DOI 10.1063/1.1857479, 094113
-
C. Pisani, M. Busso, G. Capecchi, S. Casassa, R. Dovesi, L. Maschio, C. Zicovich-Wilson, and M. Schütz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1857479 122, 094113 (2005). (Pubitemid 41042129)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.9
, pp. 1-12
-
-
Pisani, C.1
Busso, M.2
Capecchi, G.3
Casassa, S.4
Dovesi, R.5
Maschio, L.6
Zicovich-Wilson, C.7
Schutz, M.8
-
20
-
-
49249096257
-
-
JCCHDD 0192-8651 10.1002/jcc.20975
-
C. Pisani, L. Maschio, S. Casassa, M. Halo, M. Schütz, and D. Usvyat, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.20975 29, 2113 (2008).
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 2113
-
-
Pisani, C.1
Maschio, L.2
Casassa, S.3
Halo, M.4
Schütz, M.5
Usvyat, D.6
-
21
-
-
34547683991
-
-
JCCHDD 1098-0121 10.1103/PhysRevB.76.075102
-
D. Usvyat, L. Maschio, F. R. Manby, S. Casassa, M. Schütz, and C. Pisani, Phys. Rev. B JCCHDD 1098-0121 10.1103/PhysRevB.76.075102 76, 075102 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 075102
-
-
Usvyat, D.1
Maschio, L.2
Manby, F.R.3
Casassa, S.4
Schütz, M.5
Pisani, C.6
-
22
-
-
84855368121
-
-
in edited by F. R. Manby CRC Press, Boca Raton, FL
-
M. Schütz, D. Usvyat, M. Lorenz, C. Pisani, L. Maschio, S. Casassa, and M. Halo, in Accurate Condensed Phase Quantum Chemistry, edited by, F. R. Manby, (CRC Press, Boca Raton, FL, 2010), p. 29.
-
(2010)
Accurate Condensed Phase Quantum Chemistry
, pp. 29
-
-
Schütz, M.1
Usvyat, D.2
Lorenz, M.3
Pisani, C.4
Maschio, L.5
Casassa, S.6
Halo, M.7
-
23
-
-
0001701339
-
-
CHPLBC 0009-2614 10.1016/0009-2614(83)80703-9
-
P. Pulay, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(83)80703-9 100, 151 (1983).
-
(1983)
Chem. Phys. Lett.
, vol.100
, pp. 151
-
-
Pulay, P.1
-
24
-
-
78650830129
-
-
University of Torino, Torino
-
R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, K. Doll, N. M. Harrison, B. Civalleri, I. J. Bush, crystal09User's Manual (University of Torino, Torino, 2006) [http://www.crystal.unito.it].
-
(2006)
Crystal09User's Manual
-
-
Dovesi, R.1
Saunders, V.R.2
Roetti, C.3
Orlando, R.4
Zicovich-Wilson, C.M.5
Pascale, F.6
Doll, K.7
Harrison, N.M.8
Civalleri, B.9
Bush, I.J.10
-
25
-
-
57749114373
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2008.11.043
-
M. Halo, S. Casassa, L. Maschio, and C. Pisani, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2008.11.043 467, 294 (2009).
-
(2009)
Chem. Phys. Lett.
, vol.467
, pp. 294
-
-
Halo, M.1
Casassa, S.2
Maschio, L.3
Pisani, C.4
-
26
-
-
50849141372
-
-
CHPLBC 1742-6588 10.1088/1742-6596/117/1/012007
-
S. Casassa, M. Halo, and L. Maschio, J. Phys. Conf. Series CHPLBC 1742-6588 10.1088/1742-6596/117/1/012007 117, 012007 (2008).
-
(2008)
J. Phys. Conf. Series
, vol.117
, pp. 012007
-
-
Casassa, S.1
Halo, M.2
Maschio, L.3
-
27
-
-
58149170609
-
-
PPCPFQ 1463-9076 10.1039/b812870g
-
M. Halo, S. Casassa, L. Maschio, and C. Pisani, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b812870g 11, 586 (2009).
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 586
-
-
Halo, M.1
Casassa, S.2
Maschio, L.3
Pisani, C.4
-
28
-
-
65249104598
-
-
JPCBFK 1520-6106 10.1021/jp809885e
-
A. Erba, S. Casassa, L. Maschio, and C. Pisani, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp809885e 113, 2347 (2009).
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 2347
-
-
Erba, A.1
Casassa, S.2
Maschio, L.3
Pisani, C.4
-
29
-
-
60749105771
-
-
JCPSA6 0021-9606 10.1063/1.3076921
-
A. Erba, S. Casassa, R. Dovesi, L. Maschio, and C. Pisani, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3076921 130, 074505 (2009).
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 074505
-
-
Erba, A.1
Casassa, S.2
Dovesi, R.3
Maschio, L.4
Pisani, C.5
-
30
-
-
67449127086
-
-
TCACFW 1432-881X 10.1007/s00214-009-0512-5
-
C. Pisani, L. Maschio, S. Casassa, M. Halo, and A. Erba, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-009-0512-5 123, 327 (2009).
-
(2009)
Theor. Chem. Acc.
, vol.123
, pp. 327
-
-
Pisani, C.1
Maschio, L.2
Casassa, S.3
Halo, M.4
Erba, A.5
-
31
-
-
77954889810
-
-
JCPSA6 0021-9606 10.1063/1.3372800
-
L. Maschio, D. Usvyat, M. Schütz, and B. Civalleri, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3372800 132, 134706 (2010).
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 134706
-
-
Maschio, L.1
Usvyat, D.2
Schütz, M.3
Civalleri, B.4
-
33
-
-
79951913741
-
-
JCPSA6 0021-9606 10.1063/1.3553206
-
A. Erba, L. Maschio, S. Salustro, and S. Casassa, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3553206 134, 074502 (2011).
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 074502
-
-
Erba, A.1
Maschio, L.2
Salustro, S.3
Casassa, S.4
-
34
-
-
77953295078
-
-
JCPSA6 0942-9352 10.1524/zpch.2010.6116
-
D. Usvyat, L. Maschio, C. Pisani, and M. Schütz, Z. Phys. Chem. JCPSA6 0942-9352 10.1524/zpch.2010.6116 224, 441 (2010).
-
(2010)
Z. Phys. Chem.
, vol.224
, pp. 441
-
-
Usvyat, D.1
Maschio, L.2
Pisani, C.3
Schütz, M.4
-
35
-
-
78651337701
-
-
JCPSA6 0021-9606 10.1063/1.3517868
-
R. Martinez-Casado, G. Mallia, D. Usvyat, L. Maschio, S. Casassa, M. Schütz, and N. Harrison, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3517868 134, 014706 (2011).
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 014706
-
-
Martinez-Casado, R.1
Mallia, G.2
Usvyat, D.3
Maschio, L.4
Casassa, S.5
Schütz, M.6
Harrison, N.7
-
36
-
-
79951886491
-
-
1463-9076 10.1039/C0CP01687J
-
M. Halo, S. Casassa, L. Maschio, C. Pisani, R. Dovesi, D. Ehinon, I. Baraille, M. Rérat, and D. Usvyat, Phys. Chem. Chem. Phys. 1463-9076 10.1039/C0CP01687J 13, 4434 (2011).
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 4434
-
-
Halo, M.1
Casassa, S.2
Maschio, L.3
Pisani, C.4
Dovesi, R.5
Ehinon, D.6
Baraille, I.7
Rérat, M.8
Usvyat, D.9
-
37
-
-
33746271391
-
On the prospective use of the one-electron density matrix as a test of the quality of post-Hartree-Fock schemes for crystals
-
DOI 10.1524/zpch.2006.220.7.913
-
C. Pisani, S. Casassa, and L. Maschio, Z. Phys. Chem. JCPSA6 0942-9352 10.1524/zpch.2006.220.7.913 220, 913 (2006). (Pubitemid 44105594)
-
(2006)
Zeitschrift fur Physikalische Chemie
, vol.220
, Issue.7
, pp. 913-926
-
-
Pisani, C.1
Casassa, S.2
Maschio, L.3
-
38
-
-
0009447614
-
-
PHRVAO 0031-899X 10.1103/PhysRev.151.615
-
J. C. Erskine and J. D. McGervey, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.151.615 151, 615 (1966).
-
(1966)
Phys. Rev.
, vol.151
, pp. 615
-
-
Erskine, J.C.1
McGervey, J.D.2
-
39
-
-
0000666119
-
-
PHRVAO 1098-0121 10.1103/PhysRevB.6.4596
-
W. A. Reed and P. Eisenberger, Phys. Rev. B PHRVAO 1098-0121 10.1103/PhysRevB.6.4596 6, 4596 (1972).
-
(1972)
Phys. Rev. B
, vol.6
, pp. 4596
-
-
Reed, W.A.1
Eisenberger, P.2
-
41
-
-
4243408883
-
-
JCOMEL 0953-8984 10.1088/0953-8984/1/SA/004
-
N. Shiotani, N. Sakai, M. Ito, O. Mao, F. Itoh, H. Kawata, Y. Amemiya, and M. Ando, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/1/SA/ 004 1, 3270 (1989).
-
(1989)
J. Phys. Condens. Matter
, vol.1
, pp. 3270
-
-
Shiotani, N.1
Sakai, N.2
Ito, M.3
Mao, O.4
Itoh, F.5
Kawata, H.6
Amemiya, Y.7
Ando, M.8
-
42
-
-
0031504148
-
-
JUPSAU 0031-9015 10.1143/JPSJ.66.2777
-
Y. Kubo, Y. Sakurai, Y. Tanaka, T. Nakamura, H. Kawata, and N. Shiotani, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.66.2777 66, 2777 (1997).
-
(1997)
J. Phys. Soc. Jpn.
, vol.66
, pp. 2777
-
-
Kubo, Y.1
Sakurai, Y.2
Tanaka, Y.3
Nakamura, T.4
Kawata, H.5
Shiotani, N.6
-
43
-
-
36049060136
-
-
PHRVAO 0031-899X 10.1103/PhysRev.171.399
-
D. Stroud and H. Ehrenreich, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.171.399 171, 399 (1968).
-
(1968)
Phys. Rev.
, vol.171
, pp. 399
-
-
Stroud, D.1
Ehrenreich, H.2
-
44
-
-
0242669443
-
-
JPSOAW 0022-3719 10.1088/0022-3719/10/2/006
-
A. Seth and D. E. Ellis, J. Phys. C Solid State Phys. JPSOAW 0022-3719 10.1088/0022-3719/10/2/006 10, 181 (1977).
-
(1977)
J. Phys. C Solid State Phys.
, vol.10
, pp. 181
-
-
Seth, A.1
Ellis, D.E.2
-
45
-
-
0006226220
-
-
JPSOAW 1098-0121 10.1103/PhysRevB.15.3039
-
F. M. Mueller, Phys. Rev. B JPSOAW 1098-0121 10.1103/PhysRevB.15.3039 15, 3039 (1977).
-
(1977)
Phys. Rev. B
, vol.15
, pp. 3039
-
-
Mueller, F.M.1
-
48
-
-
4243990761
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.80.4253
-
B. Králik, P. Delaney, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.4253 80, 4253 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 4253
-
-
Králik, B.1
Delaney, P.2
Louie, S.G.3
-
49
-
-
27644561847
-
-
APCPCS 0094-243X 10.1063/1.1757941
-
M. Itou and Y. Sakurai, AIP Conf. Proc. APCPCS 0094-243X 10.1063/1.1757941 705, 901 (2004).
-
(2004)
AIP Conf. Proc.
, vol.705
, pp. 901
-
-
Itou, M.1
Sakurai, Y.2
-
50
-
-
9544250407
-
-
JPCSAW 0022-3697 10.1016/j.jpcs.2004.08.020
-
Y. Sakurai and M. Itou, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/j.jpcs.2004.08.020 65, 2061 (2004).
-
(2004)
J. Phys. Chem. Solids
, vol.65
, pp. 2061
-
-
Sakurai, Y.1
Itou, M.2
-
51
-
-
0001319989
-
-
JUPSAU 0031-9015 10.1143/JPSJ.56.2477
-
N. Sakai, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.56.2477 56, 2477 (1987).
-
(1987)
J. Phys. Soc. Jpn.
, vol.56
, pp. 2477
-
-
Sakai, N.1
-
52
-
-
26144450583
-
-
JUPSAU 1098-0121 10.1103/PhysRevB.23.5048
-
J. P. Perdew and A. Zunger, Phys. Rev. B JUPSAU 1098-0121 10.1103/PhysRevB.23.5048 23, 5048 (1981).
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
54
-
-
0000189651
-
-
JCPSA6 0021-9606 10.1063/1.464913
-
A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
55
-
-
36149009855
-
-
PHRVAO 0031-899X 10.1103/PhysRev.52.191
-
G. H. Wannier, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.52.191 52, 191 (1937).
-
(1937)
Phys. Rev.
, vol.52
, pp. 191
-
-
Wannier, G.H.1
-
56
-
-
0035578254
-
A general method to obtain well localized wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations
-
DOI 10.1063/1.1415745
-
C. M. Zicovich-Wilson, R. Dovesi, and V. R. Saunders, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1415745 115, 9708 (2001). (Pubitemid 33147331)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.21
, pp. 9708-9719
-
-
Zicovich-Wilson, C.M.1
Dovesi, R.2
Saunders, V.R.3
-
57
-
-
33747824373
-
Symmetry-adapted localized wannier functions suitable for periodic local correlation methods
-
DOI 10.1007/s00214-006-0119-z
-
S. Casassa, C. M. Zicovich-Wilson, and C. Pisani, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-006-0119-z 116, 726 (2006). (Pubitemid 44286552)
-
(2006)
Theoretical Chemistry Accounts
, vol.116
, Issue.4-5
, pp. 726-733
-
-
Casassa, S.1
Zicovich-Wilson, C.M.2
Pisani, C.3
-
58
-
-
34250126673
-
-
TCHAAM 0040-5744 10.1007/BF00526697
-
P. Pulay and S. Saebø, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF00526697 69, 357 (1986).
-
(1986)
Theor. Chim. Acta
, vol.69
, pp. 357
-
-
Pulay, P.1
Saebø, S.2
-
59
-
-
49249134707
-
-
TCHAAM 1098-0121 10.1103/PhysRevB.78.073102
-
L. Maschio and D. Usvyat, Phys. Rev. B TCHAAM 1098-0121 10.1103/PhysRevB.78.073102 78, 073102 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 073102
-
-
Maschio, L.1
Usvyat, D.2
-
60
-
-
78651089544
-
-
in edited by C. Gatti and P. Macchi (Springer, Berlin
-
C. Pisani, R. Dovesi, A. Erba, and P. Giannozzi, in Modern Charge Density Analysis, edited by, C. Gatti, and, P. Macchi, (Springer, Berlin, 2010).
-
(2010)
Modern Charge Density Analysis
-
-
Pisani, C.1
Dovesi, R.2
Erba, A.3
Giannozzi, P.4
-
61
-
-
70349568754
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009).
-
(2009)
J. Phys. Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
-
62
-
-
0348215956
-
-
EPJAFV 1434-6001 10.1007/BF01375457
-
E. A. Hylleraas, Z. Phys. EPJAFV 1434-6001 10.1007/BF01375457 54, 347 (1929).
-
(1929)
Z. Phys.
, vol.54
, pp. 347
-
-
Hylleraas, E.A.1
-
63
-
-
0000600475
-
-
TCHAAM 0040-5744 10.1007/BF00527669
-
W. Kutzelnigg, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF00527669 68, 445 (1985).
-
(1985)
Theor. Chim. Acta
, vol.68
, pp. 445
-
-
Kutzelnigg, W.1
-
64
-
-
85102989523
-
-
John Wiley and Sons, Chichester, UK
-
T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic Structure Theory (John Wiley and Sons, Chichester, UK, 2000).
-
(2000)
Molecular Electronic Structure Theory
-
-
Helgaker, T.1
Jørgensen, P.2
Olsen, J.3
-
65
-
-
50849121407
-
-
TCHAAM 1742-6588 10.1088/1742-6596/117/1/012027
-
D. Usvyat and M. Schütz, J. Phys. Conf. Ser. TCHAAM 1742-6588 10.1088/1742-6596/117/1/012027 117, 012027 (2008).
-
(2008)
J. Phys. Conf. Ser.
, vol.117
, pp. 012027
-
-
Usvyat, D.1
Schütz, M.2
-
67
-
-
0000373936
-
-
CMPHC2 0301-0104 10.1016/0301-0104(81)80319-9
-
A. J. Thakkar, A. M. Simas, and V. H. S. Jr., Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(81)80319-9 63, 175 (1981).
-
(1981)
Chem. Phys.
, vol.63
, pp. 175
-
-
Thakkar, A.J.1
Simas, A.M.2
S Jr., V.H.3
-
68
-
-
84914336971
-
-
ADPHAH 0001-8732 10.1080/00018737100101291
-
M. Cooper, Adv. Phys. ADPHAH 0001-8732 10.1080/00018737100101291 20, 453 (1971).
-
(1971)
Adv. Phys.
, vol.20
, pp. 453
-
-
Cooper, M.1
-
69
-
-
0001516126
-
-
ADPHAH 1098-0121 10.1103/PhysRevB.47.9385
-
Z. W. Lu, A. Zunger, and M. Deutsch, Phys. Rev. B ADPHAH 1098-0121 10.1103/PhysRevB.47.9385 47, 9385 (1993).
-
(1993)
Phys. Rev. B
, vol.47
, pp. 9385
-
-
Lu, Z.W.1
Zunger, A.2
Deutsch, M.3
-
70
-
-
0031996001
-
-
SSCOA4 0038-1098 10.1016/S0038-1098(97)10112-0
-
S. B. Dugdale and T. Jarlborg, Solid State Commun. SSCOA4 0038-1098 10.1016/S0038-1098(97)10112-0 105, 283 (1998).
-
(1998)
Solid State Commun.
, vol.105
, pp. 283
-
-
Dugdale, S.B.1
Jarlborg, T.2
-
71
-
-
0343627977
-
Influence of lattice dynamics on electron momentum density of lithium
-
DOI 10.1016/S0022-3697(99)00321-2
-
C. Sternemann, G. Döring, C. Wittkop, W. Schülke, A. Shukla, T. Buslaps, and P. Suortti, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/S0022-3697(99)00321-2 61, 379 (2000). (Pubitemid 30556073)
-
(2000)
Journal of Physics and Chemistry of Solids
, vol.61
, Issue.3
, pp. 379-382
-
-
Sternemann, C.1
Doring, G.2
Wittkop, C.3
Schulke, W.4
Shukla, A.5
Buslaps, T.6
Suortti, P.7
|