-
1
-
-
36849099976
-
-
10.1063/1.1727484
-
J. Cizek, J. Chem. Phys. 45, 4256 (1966). 10.1063/1.1727484
-
(1966)
J. Chem. Phys.
, vol.45
, pp. 4256
-
-
Cizek, J.1
-
3
-
-
84987097935
-
-
10.1002/qua.560140503
-
J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quantum Chem. 14, 545 (1978). 10.1002/qua.560140503
-
(1978)
Int. J. Quantum Chem.
, vol.14
, pp. 545
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
6
-
-
0034321108
-
Initial implementation and applications of a general active space coupled cluster method
-
DOI 10.1063/1.1290005
-
J. Olsen, J. Chem. Phys. 113, 7140 (2000). 10.1063/1.1290005 (Pubitemid 32021211)
-
(2000)
Journal of Chemical Physics
, vol.113
, Issue.17
, pp. 7140-7148
-
-
Olsen, J.1
-
7
-
-
5444251547
-
-
10.1063/1.1780155
-
T. A. Ruden, T. Helgaker, P. Jorgensen, and J. Olsen, J. Chem. Phys. 121, 5874 (2004). 10.1063/1.1780155
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 5874
-
-
Ruden, T.A.1
Helgaker, T.2
Jorgensen, P.3
Olsen, J.4
-
11
-
-
0037085854
-
Formulation and implementation of the full coupled-cluster method through pentuple excitations
-
DOI 10.1063/1.1445744
-
M. Musial, S. Kucharski, and R. Bartlett, J. Chem. Phys. 116, 4382 (2002). 10.1063/1.1445744 (Pubitemid 34405134)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.11
, pp. 4382-4388
-
-
Musial, M.1
Kucharski, S.A.2
Bartlett, R.J.3
-
13
-
-
0035880942
-
Higher excitations in coupled-cluster theory
-
DOI 10.1063/1.1383290
-
M. Kllay and P. R. Surjn, J. Chem. Phys. 115, 2945 (2001). 10.1063/1.1383290 (Pubitemid 32796736)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.7
, pp. 2945-2954
-
-
Kallay, M.1
Surjan, P.R.2
-
15
-
-
0345566357
-
-
10.1021/jp034596z
-
S. Hirata, J. Phys. Chem. A 107, 9887 (2003). 10.1021/jp034596z
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 9887
-
-
Hirata, S.1
-
16
-
-
31744435977
-
Automatic code generation for many-body electronic structure methods: The tensor contraction engine
-
DOI 10.1080/00268970500275780
-
A. A. Auer, G. Baumgartner, D. E. Bernholdt, A. Bibireata, V. Choppella, D. Cociorva, X. Gao, R. Harrison, S. Krishnamoorthy, S. Krishnan, C.-C. Lam, Q. Lu, M. Nooijen, R. Pitzer, J. Ramanujam, P. Sadayappan, and A. Sibiryakov, Mol. Phys. 104, 211 (2006). 10.1080/00268970500275780 (Pubitemid 43177263)
-
(2006)
Molecular Physics
, vol.104
, Issue.2
, pp. 211-228
-
-
Auer, A.A.1
Baumgartner, G.2
Bernholdt, D.E.3
Bibireata, A.4
Choppella, V.5
Cociorva, D.6
Gao, X.7
Harrison, R.8
Krishnamoorthy, S.9
Krishnan, S.10
Lam, C.-C.11
Lu, Q.12
Nooijen, M.13
Pitzer, R.14
Ramanujam, J.15
Sadayappan, P.16
Sibiryakov, A.17
-
17
-
-
33746607238
-
-
in, edited by V. N. Alexandrov, G. D. VanAlbada, P. M. A. Sloot, and J. Dongarra (Springer), Vol
-
A. Hartono, Q. D. Lu, X. Y. Gao, S. Krishnamoorthy, M. Nooijen, G. Baumgartner, D. E. Bernholdt, V. Choppella, R. M. Pitzer, J. Ramanujam, A. Rountev, and P. Sadayappan, in Computational Science-ICCS 2006, Part 1, Proceedings Book Series: Lecture Notes in Computer Science, edited by, V. N. Alexandrov, G. D. VanAlbada, P. M. A. Sloot, and, J. Dongarra, (Springer, 2006), Vol. 3991, p. 267.
-
(2006)
Computational Science-ICCS 2006, Part 1, Proceedings Book Series: Lecture Notes in Computer Science
, vol.3991
, pp. 267
-
-
Hartono, A.1
Lu, Q.D.2
Gao, X.Y.3
Krishnamoorthy, S.4
Nooijen, M.5
Baumgartner, G.6
Bernholdt, D.E.7
Choppella, V.8
Pitzer, R.M.9
Ramanujam, J.10
Rountev, A.11
Sadayappan, P.12
-
18
-
-
25144460585
-
-
in (Springer), Vol
-
A. Hartono, A. Sibiryakov, M. Nooijen, G. Baumgartner, D. E. Bernholdt, S. Hirata, C. C. Lam, R. M. Pitzer, J. Ramanujam, and P. Sadayappan, in Computational Science-ICCS 2005, Part, Proceedings Book Series: Lecture Notes in Computer Science (Springer, 2005), Vol. 3514, p. 155.
-
(2005)
Computational Science-ICCS 2005, Part, Proceedings Book Series: Lecture Notes in Computer Science
, vol.3514
, pp. 155
-
-
Hartono, A.1
Sibiryakov, A.2
Nooijen, M.3
Baumgartner, G.4
Bernholdt, D.E.5
Hirata, S.6
Lam, C.C.7
Pitzer, R.M.8
Ramanujam, J.9
Sadayappan, P.10
-
19
-
-
70449393606
-
-
10.1021/jp9051215
-
A. Hartono, Q. Lu, T. Henretty, S. Krishnamoorthy, H. Zhang, G. Baumgartner, D. E. Bernholdt, M. Nooijen, R. Pitzer, J. Ramanujam, and P. Sadayappan, J. Phys. Chem. A 113, 12715 (2009). 10.1021/jp9051215
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 12715
-
-
Hartono, A.1
Lu, Q.2
Henretty, T.3
Krishnamoorthy, S.4
Zhang, H.5
Baumgartner, G.6
Bernholdt, D.E.7
Nooijen, M.8
Pitzer, R.9
Ramanujam, J.10
Sadayappan, P.11
-
21
-
-
79953308018
-
Eliminating redundancy in the application of Wicks theorem
-
(to be published)
-
M. Hanrath, Eliminating redundancy in the application of Wicks theorem., J. Chem. Phys. (to be published).
-
J. Chem. Phys.
-
-
Hanrath, M.1
-
22
-
-
79953305977
-
Simplification of expressions of antisymmetric tensor products by topological methods
-
(to be published)
-
M. Hanrath and A. Engels-Putzka, Simplification of expressions of antisymmetric tensor products by topological methods., J. Chem. Phys. (to be published).
-
J. Chem. Phys.
-
-
Hanrath, M.1
Engels-Putzka, A.2
-
24
-
-
79953300016
-
-
See supplementary material at E-JCPSA6-134-022109 for the CCSD problem
-
See supplementary material at http://dx.doi.org/10.1063/1.3561739 E-JCPSA6-134-022109 for the CCSD problem.
-
-
-
-
25
-
-
26444479778
-
-
10.1126/science.220.4598.671
-
S. Kirkpatrick, C. D. Gelatt, Jr., and M. P. Vecchi, Science 220, 671 (1983). 10.1126/science.220.4598.671
-
(1983)
Science
, vol.220
, pp. 671
-
-
Kirkpatrick, S.1
Gelatt Jr., C.D.2
Vecchi, M.P.3
-
27
-
-
36449002017
-
-
10.1063/1.460620
-
J. F. Stanton, J. Gauss, J. D. Watts, and R. J. Bartlett, J. Chem. Phys. 94, 4334 (1991). 10.1063/1.460620
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 4334
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
Bartlett, R.J.4
-
29
-
-
77953299178
-
-
MOLPRO, a package of ab initio programs designed by, version 2006, (University of Birmingham)
-
MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, version 2006, H.-J. Werner, P. J. Knowles, R. Lindh, Tech. Rep. (University of Birmingham, 2006).
-
(2006)
Tech. Rep.
-
-
Werner, H.-J.1
Knowles, P.J.2
Werner, H.-J.3
Knowles, P.J.4
Lindh, R.5
|