-
1
-
-
33746216303
-
-
Klopper, W.; Manby, F. R.; Ten-no, S.; Valeev, E. F. Int. Rev. Phys. Chem. 2006, 25, 427-468
-
(2006)
Int. Rev. Phys. Chem.
, vol.25
, pp. 427-468
-
-
Klopper, W.1
Manby, F.R.2
Ten-No, S.3
Valeev, E.F.4
-
3
-
-
84855845966
-
-
Kong, L.; Bischoff, F. A.; Valeev, E. F. Chem. Rev. 2012, 112, 75-107
-
(2012)
Chem. Rev.
, vol.112
, pp. 75-107
-
-
Kong, L.1
Bischoff, F.A.2
Valeev, E.F.3
-
4
-
-
84855845948
-
-
Hättig, C.; Klopper, W.; Köhn, A.; Tew, D. P. Chem. Rev. 2012, 112, 4-74
-
(2012)
Chem. Rev.
, vol.112
, pp. 4-74
-
-
Hättig, C.1
Klopper, W.2
Köhn, A.3
Tew, D.P.4
-
8
-
-
30544447979
-
-
Kedžuch, S.; Milko, M.; Noga, J. Int. J. Quantum Chem. 2005, 105, 929-936
-
(2005)
Int. J. Quantum Chem.
, vol.105
, pp. 929-936
-
-
Kedžuch, S.1
Milko, M.2
Noga, J.3
-
9
-
-
22944452424
-
-
Fliegl, H.; Klopper, W.; Hättig, C. J. Chem. Phys. 2005, 122, 84107
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 84107
-
-
Fliegl, H.1
Klopper, W.2
Hättig, C.3
-
11
-
-
37149036190
-
-
Adler, T. B.; Knizia, G.; Werner, H.-J. J. Chem. Phys. 2007, 127, 221106
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 221106
-
-
Adler, T.B.1
Knizia, G.2
Werner, H.-J.3
-
25
-
-
79551634094
-
-
Shiozaki, T.; Knizia, G.; Werner, H.-J. J. Chem. Phys. 2011, 134, 034113
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 034113
-
-
Shiozaki, T.1
Knizia, G.2
Werner, H.-J.3
-
26
-
-
0002816669
-
-
Mahapatra, U. S.; Datta, B.; Mukherjee, D. Chem. Phys. Lett. 1999, 299, 42-50
-
(1999)
Chem. Phys. Lett.
, vol.299
, pp. 42-50
-
-
Mahapatra, U.S.1
Datta, B.2
Mukherjee, D.3
-
27
-
-
0041360201
-
-
Mahapatra, U. S.; Datta, B.; Mukherjee, D. J. Phys. Chem. A 1999, 103, 1822-1830
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 1822-1830
-
-
Mahapatra, U.S.1
Datta, B.2
Mukherjee, D.3
-
28
-
-
84858749090
-
-
Mao, S.; Cheng, L.; Liu, W.; Mukherjee, D. J. Chem. Phys. 2012, 136, 024105
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 024105
-
-
Mao, S.1
Cheng, L.2
Liu, W.3
Mukherjee, D.4
-
29
-
-
84858751178
-
-
Mao, S.; Cheng, L.; Liu, W.; Mukherjee, D. J. Chem. Phys. 2012, 136, 024106
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 024106
-
-
Mao, S.1
Cheng, L.2
Liu, W.3
Mukherjee, D.4
-
30
-
-
84858753721
-
-
Haunschild, R.; Mao, S.; Mukherjee, S.; Klopper, W. Chem. Phys. Lett. 2012, 531, 247-251
-
(2012)
Chem. Phys. Lett.
, vol.531
, pp. 247-251
-
-
Haunschild, R.1
Mao, S.2
Mukherjee, S.3
Klopper, W.4
-
31
-
-
84879180436
-
-
Haunschild, R.; Cheng, L.; Mukherjee, D.; Klopper, W. J. Chem. Phys. 2013, 138, 211101-211104
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 211101-211104
-
-
Haunschild, R.1
Cheng, L.2
Mukherjee, D.3
Klopper, W.4
-
32
-
-
84875438635
-
-
Liu, W.; Hanauer, M.; Köhn, A. Chem. Phys. Lett. 2013, 565, 122-127
-
(2013)
Chem. Phys. Lett.
, vol.565
, pp. 122-127
-
-
Liu, W.1
Hanauer, M.2
Köhn, A.3
-
33
-
-
84892578166
-
-
Kedžuch, S.; Demel, O.; Pittner, J.; Ten-no, S.; Noga, J. Chem. Phys. Lett. 2011, 418, 511
-
(2011)
Chem. Phys. Lett.
, vol.418
, pp. 511
-
-
Kedžuch, S.1
Demel, O.2
Pittner, J.3
Ten-No, S.4
Noga, J.5
-
35
-
-
84868362526
-
-
Booth, G. H.; Cleland, D.; Alavi, A.; Tew, D. P. J. Chem. Phys. 2012, 137, 164112-164122
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 164112-164122
-
-
Booth, G.H.1
Cleland, D.2
Alavi, A.3
Tew, D.P.4
-
38
-
-
84885102778
-
Advances in Electronic Structure Theory: GAMESS a Decade Later
-
Dykstra, C. E. Frenking, G. Kim, K. S. Scuseria, G. E. Elsevier: Amsterdam, The Netherlands, Chapter 41
-
Gordon, M. S.; Schmidt, W. W. Advances in Electronic Structure Theory: GAMESS a Decade Later. In Theory and Applications of Computational Chemistry; Dykstra, C. E.; Frenking, G.; Kim, K. S.; Scuseria, G. E., Eds.; Elsevier: Amsterdam, The Netherlands, 2005; Chapter 41.
-
(2005)
Theory and Applications of Computational Chemistry
-
-
Gordon, M.S.1
Schmidt, W.W.2
-
39
-
-
84893169025
-
-
Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. J.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347-1363
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347-1363
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.J.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
40
-
-
3242888386
-
-
Version 3.0 (alpha); Sandia National Laboratories: Livermore, CA
-
Janssen, C. L.; Nielsen, I. B.; Leininger, M. L.; Valeev, E. F.; Seidl, E. T. The Massively Parallel Quantum Chemistry Program (MPQC), Version 3.0 (alpha); Sandia National Laboratories: Livermore, CA, 2009.
-
(2009)
The Massively Parallel Quantum Chemistry Program (MPQC)
-
-
Janssen, C.L.1
Nielsen, I.B.2
Leininger, M.L.3
Valeev, E.F.4
Seidl, E.T.5
-
41
-
-
72449122456
-
-
Aquilante, F.; De Vico, L.; Ferré, N.; Ghigo, G.; Malmqvist, P.-Å.; Neogrády, P.; Pedersen, T. B.; Pitonak, M.; Reiher, M.; Roos, B. O.; Serrano-Andrés, L.; Urban, M.; Veryazov, V.; Lindh, R. J. Comput. Chem. 2010, 31, 224-247
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 224-247
-
-
Aquilante, F.1
De Vico, L.2
Ferré, N.3
Ghigo, G.4
Malmqvist, P.-Å.5
Neogrády, P.6
Pedersen, T.B.7
Pitonak, M.8
Reiher, M.9
Roos, B.O.10
Serrano-Andrés, L.11
Urban, M.12
Veryazov, V.13
Lindh, R.14
-
46
-
-
0000724478
-
-
Halgaker, T.; Klopper, W.; Koch, H.; Noga, J. J. Chem. Phys. 1997, 106, 9639-9646
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9639-9646
-
-
Halgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
51
-
-
0001210423
-
-
de Oliveira, G.; Martin, J. M. L.; de Proft, F.; Geerlings, P. Phys. Rev. A 1999, 60, 1034-1045
-
(1999)
Phys. Rev. A
, vol.60
, pp. 1034-1045
-
-
De Oliveira, G.1
Martin, J.M.L.2
De Proft, F.3
Geerlings, P.4
-
52
-
-
84864970108
-
-
Li, J.; Zhao, Z.; Andersson, M.; Zhang, X.; Chen, C. J. Phys. B.: At., Mol. Opt. Phys. 2012, 45, 165004
-
(2012)
J. Phys. B.: At., Mol. Opt. Phys.
, vol.45
, pp. 165004
-
-
Li, J.1
Zhao, Z.2
Andersson, M.3
Zhang, X.4
Chen, C.5
-
55
-
-
76649088332
-
-
Klopper, W.; Bachorz, R. A.; Tew, D. P.; Hättig, C. Phys. Rev. A 2010, 81, 022503-022508
-
(2010)
Phys. Rev. A
, vol.81
, pp. 022503-022508
-
-
Klopper, W.1
Bachorz, R.A.2
Tew, D.P.3
Hättig, C.4
-
58
-
-
0000728449
-
-
Gordon, M. S.; Schmidt, M. W.; Chaban, G. M.; Glaesemann, K. R.; Stevens, W. J.; Gonzalez, C. J. Chem. Phys. 1999, 110, 4199-4207
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 4199-4207
-
-
Gordon, M.S.1
Schmidt, M.W.2
Chaban, G.M.3
Glaesemann, K.R.4
Stevens, W.J.5
Gonzalez, C.6
-
61
-
-
0000631658
-
-
Urdahl, R. S.; Bao, Y.; Jackson, W. M. Chem. Phys. Lett. 1991, 178, 425-428
-
(1991)
Chem. Phys. Lett.
, vol.178
, pp. 425-428
-
-
Urdahl, R.S.1
Bao, Y.2
Jackson, W.M.3
-
63
-
-
62249124810
-
-
Purwanto, W.; Zhang, S.; Krakauer, H. J. Chem. Phys. 2009, 130, 094107-094115
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 094107-094115
-
-
Purwanto, W.1
Zhang, S.2
Krakauer, H.3
-
65
-
-
84892624385
-
-
program PECfit.f for fitting potential energy curves in terms of even-tempered Gaussian functions
-
Bytautas, L., program PECfit.f for fitting potential energy curves in terms of even-tempered Gaussian functions.
-
-
-
Bytautas, L.1
-
66
-
-
77149166012
-
-
Bytautas, L.; Matsunaga, N.; Ruedenberg, K. J. Chem. Phys. 2010, 132, 074307-074321
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 074307-074321
-
-
Bytautas, L.1
Matsunaga, N.2
Ruedenberg, K.3
-
67
-
-
36549087630
-
-
Bytautus, L.; Matsunaga, N.; Nagata, T.; Gordon, M. S.; Ruedenberg, K. J. Chem. Phys. 2007, 127, 204313-204331
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 204313-204331
-
-
Bytautus, L.1
Matsunaga, N.2
Nagata, T.3
Gordon, M.S.4
Ruedenberg, K.5
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