-
1
-
-
84977266737
-
-
0003-3804,. 10.1002/and19213690304
-
P. Ewald, Ann. Phys. 0003-3804 369, 253 (1921). 10.1002/andp.19213690304
-
(1921)
Ann. Phys.
, vol.369
, pp. 253
-
-
Ewald, P.1
-
2
-
-
0000396658
-
-
0021-9991,. 10.1016/0021-9991(87)90140-9
-
L. Greengard and V. Rokhlin, J. Comput. Phys. 0021-9991 73, 325 (1987). 10.1016/0021-9991(87)90140-9
-
(1987)
J. Comput. Phys.
, vol.73
, pp. 325
-
-
Greengard, L.1
Rokhlin, V.2
-
3
-
-
0028021598
-
-
0036-8075,. 10.1126/science.265.5174.909
-
L. Greengard, Science 0036-8075 265, 909 (1994). 10.1126/science.265. 5174.909
-
(1994)
Science
, vol.265
, pp. 909
-
-
Greengard, L.1
-
4
-
-
24244438779
-
-
0009-2614,. 10.1016/0009-2614(94)01128-1
-
C. A. White, B. G. Johnson, P. M. W. Gill, and M. Head-Gordon, Chem. Phys. Lett. 0009-2614 230, 8 (1994). 10.1016/0009-2614(94)01128-1
-
(1994)
Chem. Phys. Lett.
, vol.230
, pp. 8
-
-
White, C.A.1
Johnson, B.G.2
Gill, P.M.W.3
Head-Gordon, M.4
-
5
-
-
56349147828
-
-
0021-9606,. 10.1063/1.3009264
-
M. A. Watson and K. Hirao, J. Chem. Phys. 0021-9606 129, 184107 (2008). 10.1063/1.3009264
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 184107
-
-
Watson, M.A.1
Hirao, K.2
-
6
-
-
0000302356
-
-
0009-2614,. 10.1016/0009-2614(94)00930-9
-
R. Orlando, R. Dovesi, C. Roetti, and V. R. Saunders, Chem. Phys. Lett. 0009-2614 228, 225 (1994). 10.1016/0009-2614(94)00930-9
-
(1994)
Chem. Phys. Lett.
, vol.228
, pp. 225
-
-
Orlando, R.1
Dovesi, R.2
Roetti, C.3
Saunders, V.R.4
-
8
-
-
50849112048
-
-
1463-9076,. 10.1039/b805739g
-
A. S. P. Gomes, C. R. Jacob, and L. Visscher, Phys. Chem. Chem. Phys. 1463-9076 10, 5353 (2008). 10.1039/b805739g
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 5353
-
-
Gomes, A.S.P.1
Jacob, C.R.2
Visscher, L.3
-
9
-
-
65549125459
-
-
0021-9606,. 10.1063/1.3123527
-
A. M. Burow, M. Sierka, J. Dobler, and J. Sauer, J. Chem. Phys. 0021-9606 130, 174710 (2009). 10.1063/1.3123527
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 174710
-
-
Burow, A.M.1
Sierka, M.2
Dobler, J.3
Sauer, J.4
-
10
-
-
21444447161
-
Universal method for computation of electrostatic potentials
-
DOI 10.1063/1.1898206, 194107
-
D. Sundholm, J. Chem. Phys. 0021-9606 122, 194107 (2005). 10.1063/1.1898206 (Pubitemid 40914304)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.19
, pp. 1-5
-
-
Sundholm, D.1
-
11
-
-
33847737843
-
Parallel implementation of a direct method for calculating electrostatic potentials
-
DOI 10.1063/1.2436880
-
J. Juślius and D. Sundholm, J. Chem. Phys. 0021-9606 126, 094101 (2007). 10.1063/1.2436880 (Pubitemid 46385616)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.9
, pp. 094101
-
-
Juslius, J.1
Sundholm, D.2
-
12
-
-
49649127349
-
-
0163-1829,. 10.1103/PhysRevB.78.075109
-
A. Natan, A. Benjamini, D. Naveh, L. Kronik, M. L. Tiago, S. P. Beckman, and J. R. Chelikowsky, Phys. Rev. B 0163-1829 78, 075109 (2008). 10.1103/PhysRevB.78.075109
-
(2008)
Phys. Rev. B
, vol.78
, pp. 075109
-
-
Natan, A.1
Benjamini, A.2
Naveh, D.3
Kronik, L.4
Tiago, M.L.5
Beckman, S.P.6
Chelikowsky, J.R.7
-
13
-
-
33747588774
-
Efficient solution of Poisson's equation with free boundary conditions
-
DOI 10.1063/1.2335442
-
L. Genovese, T. Deutsch, A. Neelov, S. Goedecker, and G. Beylkin, J. Chem. Phys. 0021-9606 125, 074105 (2006). 10.1063/1.2335442 (Pubitemid 44267407)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.7
, pp. 074105
-
-
Genovese, L.1
Deutsch, T.2
Neelov, A.3
Goedecker, S.4
Beylkin, G.5
-
14
-
-
34547670301
-
Efficient and accurate three-dimensional Poisson solver for surface problems
-
DOI 10.1063/1.2754685
-
L. Genovese, T. Deutsch, and S. Goedecker, J. Chem. Phys. 0021-9606 127, 054704 (2007). 10.1063/1.2754685 (Pubitemid 47222494)
-
(2007)
Journal of Chemical Physics
, vol.127
, Issue.5
, pp. 054704
-
-
Genovese, L.1
Deutsch, T.2
Goedecker, S.3
-
15
-
-
46749147988
-
-
0021-9606,. 10.1063/1.2949547
-
L. Genovese, A. Neelov, S. Goedecker, T. Deutsch, S. A. Ghasemi, A. Willand, D. Caliste, O. Zilberberg, M. Rayson, A. Bergman, and R. Schneider, J. Chem. Phys. 0021-9606 129, 014109 (2008). 10.1063/1.2949547
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 014109
-
-
Genovese, L.1
Neelov, A.2
Goedecker, S.3
Deutsch, T.4
Ghasemi, S.A.5
Willand, A.6
Caliste, D.7
Zilberberg, O.8
Rayson, M.9
Bergman, A.10
Schneider, R.11
-
16
-
-
2442694387
-
-
0018-8646
-
G. Fann, G. Beylkin, R. J. Harrison, and K. E. Jordan, IBM J. Res. Dev. 0018-8646 48, 161 (2004).
-
(2004)
IBM J. Res. Dev.
, vol.48
, pp. 161
-
-
Fann, G.1
Beylkin, G.2
Harrison, R.J.3
Jordan, K.E.4
-
17
-
-
47849121770
-
-
0021-9606,. 10.1063/1.2955730
-
H. Sekino, Y. Maeda, T. Yanai, and R. J. Harrison, J. Chem. Phys. 0021-9606 129, 034111 (2008). 10.1063/1.2955730
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 034111
-
-
Sekino, H.1
Maeda, Y.2
Yanai, T.3
Harrison, R.J.4
-
18
-
-
11044224123
-
Multiresolution quantum chemistry: Basic theory and initial applications
-
DOI 10.1063/1.1791051, 12
-
R. J. Harrison, G. I. Fann, T. Yanai, Z. Gan, and G. Beylkin, J. Chem. Phys. 0021-9606 121, 11587 (2004). 10.1063/1.1791051 (Pubitemid 40044262)
-
(2004)
Journal of Chemical Physics
, vol.121
, Issue.23
, pp. 11587-11598
-
-
Harrison, R.J.1
Fann, G.I.2
Yanai, T.3
Gan, Z.4
Beylkin, G.5
-
19
-
-
35248847018
-
-
0302-9743,. 10.1007/3-540-44864-0-11
-
R. J. Harrison, G. I. Fann, T. Yanai, and G. Beylkin, Lect. Notes Comput. Sci. 0302-9743 2660, 103 (2003). 10.1007/3-540-44864-0-11
-
(2003)
Lect. Notes Comput. Sci.
, vol.2660
, pp. 103
-
-
Harrison, R.J.1
Fann, G.I.2
Yanai, T.3
Beylkin, G.4
-
20
-
-
33645880783
-
-
0065-3276,. 10.1016/S0065-3276(05)50011-X
-
R. J. F. Berger and D. Sundholm, Adv. Quantum Chem. 0065-3276 50, 235 (2005). 10.1016/S0065-3276(05)50011-X
-
(2005)
Adv. Quantum Chem.
, vol.50
, pp. 235
-
-
Berger, R.J.F.1
Sundholm, D.2
-
21
-
-
0030286966
-
A numerical Hartree-Fock program for diatomic molecules
-
DOI 10.1016/0010-4655(96)00098-7, PII S0010465596000987
-
J. Kobus, L. Laaksonen, and D. Sundholm, Comput. Phys. Commun. 0010-4655 98, 346 (1996). 10.1016/0010-4655(96)00098-7 (Pubitemid 126365671)
-
(1996)
Computer Physics Communications
, vol.98
, Issue.3
, pp. 346-358
-
-
Kobus, J.1
Laaksonen, L.2
Sundholm, D.3
-
22
-
-
84990631900
-
-
0020-7608,. 10.1002/qua.560230126
-
L. Laaksonen, P. Pyykkö, and D. Sundholm, Int. J. Quantum Chem. 0020-7608 23, 309 (1983). 10.1002/qua.560230126
-
(1983)
Int. J. Quantum Chem.
, vol.23
, pp. 309
-
-
Laaksonen, L.1
Pyykkö, P.2
Sundholm, D.3
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