-
3
-
-
33746614482
-
-
10.1063/1.456153
-
T. H. Dunning, J. Chem. Phys. 90, 1007 (1989). 10.1063/1.456153
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, T.H.1
-
6
-
-
33645226065
-
-
10.1002/jcc.540120903
-
H. Horn, H. Weiss, M. Haser, M. Ehrig, and R. Ahlrichs, J. Comput. Chem. 12, 1058 (1991). 10.1002/jcc.540120903
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 1058
-
-
Horn, H.1
Weiss, H.2
Haser, M.3
Ehrig, M.4
Ahlrichs, R.5
-
7
-
-
27644470116
-
Rigorous integral screening for electron correlation methods
-
DOI 10.1063/1.2079987, 184102
-
D. Lambrecht, B. Doser, and C. Ochsenfeld, J. Chem. Phys. 123, 184102 (2005). 10.1063/1.2079987 (Pubitemid 41580097)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.18
, pp. 1-11
-
-
Lambrecht, D.S.1
Doser, B.2
Ochsenfeld, C.3
-
9
-
-
0035935884
-
Polarization consistent basis sets: Principles
-
DOI 10.1063/1.1413524
-
F. Jensen, J. Chem. Phys. 115, 9113 (2001). 10.1063/1.1413524 (Pubitemid 33128016)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.20
, pp. 9113-9125
-
-
Jensen, F.1
-
10
-
-
0347007668
-
-
10.1063/1.462652
-
D. Feller, J. Chem. Phys. 96, 6104 (1992). 10.1063/1.462652
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6104
-
-
Feller, D.1
-
11
-
-
0000724478
-
-
10.1063/1.473863
-
T. Helgaker, W. Klopper, H. Koch, and J. Noga, J. Chem. Phys. 106, 9639 (1997). 10.1063/1.473863
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9639
-
-
Helgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
12
-
-
22944467874
-
The extrapolation of one-electron basis sets in electronic structure calculations: How it should work and how it can be made to work
-
DOI 10.1063/1.1824880, 014107
-
D. W. Schwenke, J. Chem. Phys. 122, 014107 (2005). 10.1063/1.1824880 (Pubitemid 41047750)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.1
, pp. 1-7
-
-
Schwenke, D.W.1
-
13
-
-
2442453341
-
Explicitly correlated wave functions in chemistry and physics. Theory and applications
-
Springer, New York
-
" Explicitly correlated wave functions in chemistry and physics. Theory and applications.," in Progress in Theoretical Chemistry and Physics, edited by, J. Rychlewski, (Springer, New York, 2004), Vol. 13.
-
(2004)
Progress in Theoretical Chemistry and Physics
, vol.13
-
-
Rychlewski, J.1
-
14
-
-
24244438779
-
-
10.1016/0009-2614(94)01128-1
-
C. A. White, B. G. Johnson, P. M. W. Gill, and M. Head-Gordon, Chem. Phys. Lett. 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
-
15
-
-
79952666534
-
-
10.1021/jp953665+
-
C. A. White, B. G. Johnson, P. M. W. Gill, and M. Head-Gordon, J. Comput. Phys. 253, 2668 (1996). 10.1021/jp953665+
-
(1996)
J. Comput. Phys.
, vol.253
, pp. 2668
-
-
White, C.A.1
Johnson, B.G.2
Gill, P.M.W.3
Head-Gordon, M.4
-
16
-
-
0037042127
-
Accurate molecular integrals and energies using combined plane wave and Gaussian basis sets in molecular electronic structure theory
-
DOI 10.1063/1.1467901
-
L. Fusti-Molnar and P. Pulay, J. Chem. Phys. 116, 7795 (2002). 10.1063/1.1467901 (Pubitemid 34555052)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.18
, pp. 7795-7805
-
-
Fusti-Molnar, L.1
Pulay, P.2
-
18
-
-
0002277369
-
-
10.1016/0009-2614(85)80121-4
-
R. A. Friesner, Chem. Phys. Lett. 116, 39 (1985). 10.1016/0009-2614(85) 80121-4
-
(1985)
Chem. Phys. Lett.
, vol.116
, pp. 39
-
-
Friesner, R.A.1
-
19
-
-
59349105675
-
-
10.1016/j.chemphys.2008.10.036
-
F. Neese, F. Wennmohs, A. Hansen, and U. Becker, Chem. Phys. 356, 98 (2009). 10.1016/j.chemphys.2008.10.036
-
(2009)
Chem. Phys.
, vol.356
, pp. 98
-
-
Neese, F.1
Wennmohs, F.2
Hansen, A.3
Becker, U.4
-
22
-
-
77953304771
-
-
10.1524/zpch.2010.6113
-
B. Doser, J. Zienau, L. Clin, D. S. Lambrecht, and C. Ochsenfeld, Z. Phys. Chem. 224, 397 (2010). 10.1524/zpch.2010.6113
-
(2010)
Z. Phys. Chem.
, vol.224
, pp. 397
-
-
Doser, B.1
Zienau, J.2
Clin, L.3
Lambrecht, D.S.4
Ochsenfeld, C.5
-
23
-
-
11044224123
-
Multiresolution quantum chemistry: Basic theory and initial applications
-
DOI 10.1063/1.1791051, 12
-
R. J. Harrison, G. Fann, T. Yanai, Z. Gan, and G. Beylkin, J. Chem. Phys. 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
-
24
-
-
7544240157
-
-
10.1063/1.1790931
-
T. Yanai, G. Fann, Z. Gan, R. J. Harrison, and G. Beylkin, J. Chem. Phys. 121, 6680 (2004). 10.1063/1.1790931
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 6680
-
-
Yanai, T.1
Fann, G.2
Gan, Z.3
Harrison, R.J.4
Beylkin, G.5
-
25
-
-
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. 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
-
26
-
-
47849121770
-
-
10.1063/1.2955730
-
H. Sekino, Y. Maeda, T. Yanai, and R. J. Harrison, J. Chem. Phys. 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
-
27
-
-
4344648428
-
-
10.1063/1.1768161
-
T. Yanai, G. Fann, Z. Gan, R. J. Harrison, and G. Beylkin, J. Chem. Phys. 121, 2866 (2004). 10.1063/1.1768161
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 2866
-
-
Yanai, T.1
Fann, G.2
Gan, Z.3
Harrison, R.J.4
Beylkin, G.5
-
28
-
-
0033077065
-
-
10.1088/0953-4075/32/3/019
-
J. R. Flores and D. Kolb, J. Phys. B 32, 779 (1999). 10.1088/0953-4075/ 32/3/019
-
(1999)
J. Phys. B
, vol.32
, pp. 779
-
-
Flores, J.R.1
Kolb, D.2
-
32
-
-
0013953617
-
-
10.1007/BF02289464
-
L. Tucker, Psychometrika 31, 279 (1966). 10.1007/BF02289464
-
(1966)
Psychometrika
, vol.31
, pp. 279
-
-
Tucker, L.1
-
34
-
-
0034144758
-
A Multilinear Singular Value Decomposition
-
DOI 10.1137/S0895479896305696
-
L. D. Lathauwer, B. D. Moor, and J. Vandewalle, SIAM J. Matrix Anal. Appl. 21, 1253 (2000). 10.1137/S0895479896305696 (Pubitemid 33217068)
-
(2000)
SIAM Journal on Matrix Analysis and Applications
, vol.21
, Issue.4
, pp. 1253-1278
-
-
De Lathauwer, L.1
De Moor, B.2
Vandewalle, J.3
-
36
-
-
0001424792
-
-
10.1016/0196-6774(90)90014-6
-
J. Hstad, J. Algorithms 11, 644 (1990). 10.1016/0196-6774(90)90014-6
-
(1990)
J. Algorithms
, vol.11
, pp. 644
-
-
Hstad, J.1
-
38
-
-
34548429273
-
Tensor product approximation with optimal rank in quantum chemistry
-
DOI 10.1063/1.2761871
-
S. R. Chinnamsetty, M. Espig, B. N. Khoromskij, W. Hackbusch, and H.-J. Flad, J. Chem. Phys. 127, 084110 (2007). 10.1063/1.2761871 (Pubitemid 47352505)
-
(2007)
Journal of Chemical Physics
, vol.127
, Issue.8
, pp. 084110
-
-
Chinnamsetty, S.R.1
Espig, M.2
Khoromskij, B.N.3
Hackbusch, W.4
Flad, H.-J.5
-
39
-
-
67649378419
-
-
10.1016/j.jc2009.04.043
-
B. N. Khoromskij, V. Khoromskaia, S. R. Chinnamsetty, and H.-J. Flad, J. Comput. Phys. 228, 5749 (2009). 10.1016/j.jcp.2009.04.043
-
(2009)
J. Comput. Phys.
, vol.228
, pp. 5749
-
-
Khoromskij, B.N.1
Khoromskaia, V.2
Chinnamsetty, S.R.3
Flad, H.-J.4
-
40
-
-
79951528703
-
-
10.1063/1.3514201
-
U. Benedikt, A. A. Auer, M. Espig, and W. Hackbusch, J. Chem. Phys. 134, 054118 (2011). 10.1063/1.3514201
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 054118
-
-
Benedikt, U.1
Auer, A.A.2
Espig, M.3
Hackbusch, W.4
-
41
-
-
0348215956
-
-
10.1007/BF01375457
-
E. A. Hylleraas, Z. Phys. 54, 347 (1929). 10.1007/BF01375457
-
(1929)
Z. Phys.
, vol.54
, pp. 347
-
-
Hylleraas, E.A.1
-
42
-
-
79952659076
-
-
Ph.D. dissertation (Yale University)
-
B. Alpert, Ph.D. dissertation (Yale University, 1990).
-
(1990)
-
-
Alpert, B.1
-
44
-
-
33847389465
-
Coupled-cluster theory in quantum chemistry
-
DOI 10.1103/RevModPhys.79.291
-
R. J. Bartlett and M. Musial, Rev. Mod. Phys. 79, 291 (2007). 10.1103/RevModPhys.79.291 (Pubitemid 46346056)
-
(2007)
Reviews of Modern Physics
, vol.79
, Issue.1
, pp. 291-352
-
-
Bartlett, R.J.1
Musial, M.2
-
45
-
-
3142707293
-
-
10.1063/1.1757439
-
S. Ten-no, J. Chem. Phys. 121, 117 (2004). 10.1063/1.1757439
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 117
-
-
Ten-No, S.1
-
46
-
-
33746216303
-
-
10.1080/01442350600799921
-
W. Klopper, F. R. Manby, S. Ten-no, and E. F. Valeev, Int. Rev. Phys. Chem. 25, 427 (2006). 10.1080/01442350600799921
-
(2006)
Int. Rev. Phys. Chem.
, vol.25
, pp. 427
-
-
Klopper, W.1
Manby, F.R.2
Ten-No, S.3
Valeev, E.F.4
-
47
-
-
0037058028
-
-
10.1006/jcph.2002.7160
-
B. Alpert, G. Beylkin, D. Gines, and L. Vozovoi, J. Comput. Phys. 182, 149 (2002). 10.1006/jcph.2002.7160
-
(2002)
J. Comput. Phys.
, vol.182
, pp. 149
-
-
Alpert, B.1
Beylkin, G.2
Gines, D.3
Vozovoi, L.4
-
48
-
-
41349094995
-
Fast adaptive algorithms in the non-standard form for multidimensional problems
-
DOI 10.1016/j.acha.2007.08.001, PII S1063520307000838
-
G. Beylkin, V. Cheruvu, and F. Perez, Appl. Comput. Harmon. Appl. 24, 354 (2008). 10.1016/j.acha.2007.08.001 (Pubitemid 351452140)
-
(2008)
Applied and Computational Harmonic Analysis
, vol.24
, Issue.3
, pp. 354-377
-
-
Beylkin, G.1
Cheruvu, V.2
Perez, F.3
-
49
-
-
36149019811
-
-
10.1103/PhysRev.128.1791
-
M. H. Kalos, Phys. Rev. 128, 1791 (1962). 10.1103/PhysRev.128.1791
-
(1962)
Phys. Rev.
, vol.128
, pp. 1791
-
-
Kalos, M.H.1
|