-
3
-
-
0001039562
-
-
World Scientific, Dordrecht, D.R. Yarkony (Ed.)
-
Bartlett R.J. Modern electronic structure theory 1995, Vol. 2:1047-1131. World Scientific, Dordrecht. D.R. Yarkony (Ed.).
-
(1995)
Modern electronic structure theory
, vol.2
, pp. 1047-1131
-
-
Bartlett, R.J.1
-
5
-
-
0001375710
-
-
Plenum Press, S. Wilson (Ed.)
-
Urban M., Cernusak I., Kello V., Noga J. Methods in computational chemistry 1987, Vol. I:117. Plenum Press. S. Wilson (Ed.).
-
(1987)
Methods in computational chemistry
, vol.I
, pp. 117
-
-
Urban, M.1
Cernusak, I.2
Kello, V.3
Noga, J.4
-
6
-
-
84885115307
-
Special Issue on Benchmark Results in Quantum Chemistry
-
This issue offers a wide selection of what quantum chemists consider benchmark results to be, and the use of CC theory dominates, C. Dykstra (Ed.)
-
Special Issue on Benchmark Results in Quantum Chemistry. J. Mol. Struct. (THEOCHEM) 1997, 400. This issue offers a wide selection of what quantum chemists consider benchmark results to be, and the use of CC theory dominates. C. Dykstra (Ed.).
-
(1997)
J. Mol. Struct. (THEOCHEM)
, vol.400
-
-
-
8
-
-
84962534251
-
-
VCH, New York, K.B. Lipkowitz, D.B. Boyd (Eds.)
-
Bartlett R.J., Stanton J.F. Rev. Comput. Chem. 1994, 5:65-169. VCH, New York. K.B. Lipkowitz, D.B. Boyd (Eds.).
-
(1994)
Rev. Comput. Chem.
, vol.5
, pp. 65-169
-
-
Bartlett, R.J.1
Stanton, J.F.2
-
31
-
-
0002369876
-
Towards state-specific formulation of multireference coupled-cluster theory: Coupled electron pair approximations (CEPA) leading to multireference configuration interaction (MR-CI) type equations
-
World Scientific, Amsterdam, R.J. Bartlett (Ed.)
-
Szalay P.G. Towards state-specific formulation of multireference coupled-cluster theory: Coupled electron pair approximations (CEPA) leading to multireference configuration interaction (MR-CI) type equations. Modern ideas in coupled-cluster methods 1997, 81-123. World Scientific, Amsterdam. R.J. Bartlett (Ed.).
-
(1997)
Modern ideas in coupled-cluster methods
, pp. 81-123
-
-
Szalay, P.G.1
-
42
-
-
0004232327
-
-
Plenum Press, New York, J.-L. Calais, O. Goscinski, J. Linderberg, Y. Öhrn (Eds.)
-
Bartlett R.J., Silver D.M. Quantum science 1976, Plenum Press, New York. J.-L. Calais, O. Goscinski, J. Linderberg, Y. Öhrn (Eds.).
-
(1976)
Quantum science
-
-
Bartlett, R.J.1
Silver, D.M.2
-
46
-
-
84987097935
-
-
Pople J.A., Krishnan R., Schlegel H.B., Binkley J.S. Int. J. Quantum Chem. 1978, 14:545.
-
(1978)
Int. J. Quantum Chem.
, vol.14
, pp. 545
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
47
-
-
0001301251
-
-
Larsen H., Halkier A., Olsen J., Jørgensen P. J. Chem. Phys. 2000, 112:1107.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1107
-
-
Larsen, H.1
Halkier, A.2
Olsen, J.3
Jørgensen, P.4
-
48
-
-
0035280359
-
-
Hirata S., Nooijen M., Grabowski I., Bartlett R.J. J. Chem. Phys. 2001, 114:3919.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 3919
-
-
Hirata, S.1
Nooijen, M.2
Grabowski, I.3
Bartlett, R.J.4
-
52
-
-
84885131981
-
Private communication
-
Fritz Schaefer tells the story that he and John Pople were in Australia discussing the prospects for CCSD, when John remarked that he thought it would be almost impossible to do, when our paper appeared.
-
Schaefer H.F. Private communication. At the St Simons meeting 2004, Fritz Schaefer tells the story that he and John Pople were in Australia discussing the prospects for CCSD, when John remarked that he thought it would be almost impossible to do, when our paper appeared.
-
(2004)
At the St Simons meeting
-
-
Schaefer, H.F.1
-
56
-
-
84885129702
-
-
Noga J., Kello V., Urban M. COMENIUS/2, Technical Report, 1985 Comenius, University, Bratislava. Numerical results first appeared in M. Urban, S.J. Cole, and R.J. Bartlett, J. Chem. Phys. 1985, 83:4041.
-
(1985)
COMENIUS/2, Technical Report, 1985 Comenius, University, Bratislava. Numerical results first appeared in M. Urban, S.J. Cole, and R.J. Bartlett, J. Chem. Phys.
, vol.83
, pp. 4041
-
-
Noga, J.1
Kello, V.2
Urban, M.3
-
57
-
-
36549101422
-
-
Scuseria G.E., Sheiner A.C., Lee T.J., Rice J.E., Schaefer H.F. J. Chem. Phys. 1987, 86:2881.
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 2881
-
-
Scuseria, G.E.1
Sheiner, A.C.2
Lee, T.J.3
Rice, J.E.4
Schaefer, H.F.5
-
66
-
-
0343532153
-
-
Urban M., Noga J., Cole S.J., Bartlett R.J. J. Chem. Phys. 1985, 83:4041.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 4041
-
-
Urban, M.1
Noga, J.2
Cole, S.J.3
Bartlett, R.J.4
-
68
-
-
45149135930
-
-
Bartlett R.J., Watts J.D., Kucharski S.A., Noga J. Chem. Phys. Lett. 1990, 165:513.
-
(1990)
Chem. Phys. Lett.
, vol.165
, pp. 513
-
-
Bartlett, R.J.1
Watts, J.D.2
Kucharski, S.A.3
Noga, J.4
-
70
-
-
0006244148
-
-
Ragavachari K., Trucks G.W., Pople J.A., Head-Gordon M. Chem. Phys. Lett. 1989, 157:479.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Ragavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
73
-
-
0000083661
-
-
Stanton J.F., Lipscomb W.N., Magers D.H., Bartlett R.J. J. Chem. Phys. 1989, 90:1077.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1077
-
-
Stanton, J.F.1
Lipscomb, W.N.2
Magers, D.H.3
Bartlett, R.J.4
-
76
-
-
84885146331
-
-
ACES II program is a product of the Quantum Theory Project, University of Florida, Integral packages included are VMOL (J. Almlöf, P. Taylor); VPROPS (P.R. Taylor); A modified version of ABACUS integral derivative package (T.U. Helgaker, H.J.Aa. Jensen, J. Olsen, P. Jørgensen, P.R. Taylor).
-
J.F. Stanton, J. Gauss, J.D. Watts, M. Nooijen, N. Oliphant, S.A. Perera, P.G. Szalay, W.J. Lauderdale, S.A. Kucharski, S.R. Gwaltney, S. Beck, A. Balkova, D.E. Bernholdt, K.K. Baeck, P. Różyczko, H. Sekino, C. Hober, J. Pittner and R.J. Bartlett. ACES II program is a product of the Quantum Theory Project, University of Florida, Integral packages included are VMOL (J. Almlöf, P. Taylor); VPROPS (P.R. Taylor); A modified version of ABACUS integral derivative package (T.U. Helgaker, H.J.Aa. Jensen, J. Olsen, P. Jørgensen, P.R. Taylor).
-
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
Nooijen, M.4
Oliphant, N.5
Perera, S.A.6
Szalay, P.G.7
Lauderdale, W.J.8
Kucharski, S.A.9
Gwaltney, R.10
Beck, S.11
Balkova, A.12
Bernholdt, D.E.13
Baeck, K.K.14
Rózyczko, P.15
Sekino, H.16
Hober, C.17
Pittner, J.18
Bartlett, R.J.19
-
82
-
-
33751064837
-
-
Bauschlicher C.W., Langhoff S.R., Taylor P.R., Partridge H. Chem. Phys. Lett. 1986, 126:436.
-
(1986)
Chem. Phys. Lett.
, vol.126
, pp. 436
-
-
Bauschlicher, C.W.1
Langhoff, S.R.2
Taylor, P.R.3
Partridge, H.4
-
84
-
-
36549099135
-
-
Bauschlicher C.W., Langhoff S.R., Taylor P.R., Handy N.C., Knowles P.J. J. Chem. Phys. 1986, 85:1469.
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 1469
-
-
Bauschlicher, C.W.1
Langhoff, S.R.2
Taylor, P.R.3
Handy, N.C.4
Knowles, P.J.5
-
96
-
-
84885090688
-
-
Ruden T.A., Helgaker T., Jørgensen P., Olsen J. J. Chem. Phys. 2004, 121:5847.
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 5847
-
-
Ruden, T.A.1
Helgaker, T.2
Jørgensen, P.3
Olsen, J.4
-
100
-
-
0242338386
-
-
Pacific Northwest National Laboratory, New York
-
Apra E., Windus T.L., Straatsma T.P., Dupuis M., Bylaska E.J., de Jong W., Hirata S., Smith D.M.A., Hackler M.T., Pollack L., Harrison R.J., Nieplocha J., Tipparaju V., Krishnan M., Auer A.A., Brown E., Cisneros G., Fann G.I., Fruchtl H., Garza J., Hirao K., Kendall R., Nichols J.A., Tsemekhman K., Valiev M., Wolinski K., Anchell J., Bernholdt D., Borowski P., Clark T., Clerc D., Dachsel H., Deegan M., Dyall K., Elwood D., Glendening E., Gutowski M., Hess A., Jaffe J., Johnson B., Ju J., Kobayashi R., Kutteh R., Lin Z., Littlefield R., Long X., Meng B., Nakajima T., Niu S., Rosing M., Sandrone G., Stave M., Taylor H., Thomas G., van Lenthe J., Wong A., Zhang Z. NWChem, A computational chemistry package for parallel computers, version 4.6 2004, Pacific Northwest National Laboratory, New York.
-
(2004)
NWChem, A computational chemistry package for parallel computers, version 4.6
-
-
Apra, E.1
Windus, T.L.2
Straatsma, T.P.3
Dupuis, M.4
Bylaska, E.J.5
de Jong, W.6
Hirata, S.7
Smith, D.M.A.8
Hackler, M.T.9
Pollack, L.10
Harrison, R.J.11
Nieplocha, J.12
Tipparaju, V.13
Krishnan, M.14
Auer, A.A.15
Brown, E.16
Cisneros, G.17
Fann, G.I.18
Fruchtl, H.19
Garza, J.20
Hirao, K.21
Kendall, R.22
Nichols, J.A.23
Tsemekhman, K.24
Valiev, M.25
Wolinski, K.26
Anchell, J.27
Bernholdt, D.28
Borowski, P.29
Clark, T.30
Clerc, D.31
Dachsel, H.32
Deegan, M.33
Dyall, K.34
Elwood, D.35
Glendening, E.36
Gutowski, M.37
Hess, A.38
Jaffe, J.39
Johnson, B.40
Ju, J.41
Kobayashi, R.42
Kutteh, R.43
Lin, Z.44
Littlefield, R.45
Long, X.46
Meng, B.47
Nakajima, T.48
Niu, S.49
Rosing, M.50
Sandrone, G.51
Stave, M.52
Taylor, H.53
Thomas, G.54
van Lenthe, J.55
Wong, A.56
Zhang, Z.57
more..
-
104
-
-
0002559270
-
Anaytical evaluation of gradients in coupled-cluster and many-body perturbation theory
-
Reidel, Richland, WA, USA, P. Jørgensen, J. Simons (Eds.)
-
Bartlett R.J. Anaytical evaluation of gradients in coupled-cluster and many-body perturbation theory. Geometrical derivatives of energy surfaces and molecular properties 1986, 35-61. Reidel, Richland, WA, USA. P. Jørgensen, J. Simons (Eds.).
-
(1986)
Geometrical derivatives of energy surfaces and molecular properties
, pp. 35-61
-
-
Bartlett, R.J.1
-
112
-
-
36549100024
-
-
Koch H., Jensen H.J.Aa., Jørgensen P., Helgaker T. J. Chem. Phys. 1990, 93:3333.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 3333
-
-
Koch, H.1
Jensen, H.2
Jørgensen, P.3
Helgaker, T.4
-
115
-
-
0000444426
-
-
Springer, Dordrecht, The Netherlands, U. Kaldor (Ed.)
-
Bartlett R.J., Kucharski S.A., Noga J., Watts J.D., Trucks G.W. Some consideration of alternative ansatz in coupled-cluster theory, Lecture notes in chemistry 1989, Vol. 52:125-149. Springer, Dordrecht, The Netherlands. U. Kaldor (Ed.).
-
(1989)
Some consideration of alternative ansatz in coupled-cluster theory, Lecture notes in chemistry
, vol.52
, pp. 125-149
-
-
Bartlett, R.J.1
Kucharski, S.A.2
Noga, J.3
Watts, J.D.4
Trucks, G.W.5
-
116
-
-
36549103062
-
-
Fitzgerald G., Harrison R., Laidig W.D., Bartlett R.J. J. Chem. Phys. 1986, 85:5143.
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 5143
-
-
Fitzgerald, G.1
Harrison, R.2
Laidig, W.D.3
Bartlett, R.J.4
-
117
-
-
0001260773
-
-
Scheiner A.C., Scuseria G.E., Rice J.E., Lee T.J., Schaefer H.F. J. Chem. Phys. 1987, 87:5361.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5361
-
-
Scheiner, A.C.1
Scuseria, G.E.2
Rice, J.E.3
Lee, T.J.4
Schaefer, H.F.5
-
145
-
-
84885102508
-
-
this volume
-
J. Simons, this volume.
-
-
-
Simons, J.1
-
149
-
-
0035829678
-
-
Kucharski S.A., Wloch M., Musial M., Bartlett R.J. J. Chem. Phys. 2001, 115:8263.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 8263
-
-
Kucharski, S.A.1
Wloch, M.2
Musial, M.3
Bartlett, R.J.4
-
152
-
-
0036821057
-
-
Piecuch P., Kowalski K., Pimienta I.S., McGuire M.J. Int. Rev. Phys. Chem. 2002, 21:527-655.
-
(2002)
Int. Rev. Phys. Chem.
, vol.21
, pp. 527-655
-
-
Piecuch, P.1
Kowalski, K.2
Pimienta, I.S.3
McGuire, M.J.4
-
165
-
-
0000298163
-
-
Koch H., Christiansen O., Jørgensen P., deMeras A.M.S., Helgaker T. J. Chem. Phys. 1997, 106:1808.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1808
-
-
Koch, H.1
Christiansen, O.2
Jørgensen, P.3
deMeras, A.M.S.4
Helgaker, T.5
-
170
-
-
0037142747
-
-
Monninger G., Förderer M., Gurtler P., Kalhofer S., Petersen S., Nemes L., Szalay P.G., Krätschmer W. J. Chem. Phys. 2002, 106:5779.
-
(2002)
J. Chem. Phys.
, vol.106
, pp. 5779
-
-
Monninger, G.1
Förderer, M.2
Gurtler, P.3
Kalhofer, S.4
Petersen, S.5
Nemes, L.6
Szalay, P.G.7
Krätschmer, W.8
-
173
-
-
0005015229
-
-
Rozyczko P., Perera S.A., Nooijen M., Bartlett R.J. J. Chem. Phys. 1997, 107:6736.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 6736
-
-
Rozyczko, P.1
Perera, S.A.2
Nooijen, M.3
Bartlett, R.J.4
-
177
-
-
84885133707
-
-
Tobita M., Perera S.A., Musial M., Bartlett R.J., Nooijen M., Lee J.S. J. Chem. Phys. 2003, 119:10731.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 10731
-
-
Tobita, M.1
Perera, S.A.2
Musial, M.3
Bartlett, R.J.4
Nooijen, M.5
Lee, J.S.6
-
187
-
-
0002283055
-
SAC-CI method: theoretical aspects and some recent topics
-
World Scientific, Heidelberg, J. Leszczynski (Ed.)
-
Nakatsuji H. SAC-CI method: theoretical aspects and some recent topics. Computational Chemistry (Review of Current Trends) 1997, Vol. 2. World Scientific, Heidelberg. J. Leszczynski (Ed.).
-
(1997)
Computational Chemistry (Review of Current Trends)
, vol.2
-
-
Nakatsuji, H.1
-
195
-
-
0001534217
-
-
Hirata S., Grabowski I., Tobita M., Bartlett R.J. Chem. Phys. Lett. 2001, 345:475.
-
(2001)
Chem. Phys. Lett.
, vol.345
, pp. 475
-
-
Hirata, S.1
Grabowski, I.2
Tobita, M.3
Bartlett, R.J.4
-
196
-
-
1542531946
-
-
Hirata S., Podeszwa R., Tobita M., Bartlett R.J. J. Chem. Phys. 2004, 120:2581.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 2581
-
-
Hirata, S.1
Podeszwa, R.2
Tobita, M.3
Bartlett, R.J.4
-
202
-
-
0002941206
-
Linear scaling methods for electronic structure calculations
-
Wiley, P. Schleyer (Ed.)
-
Yang W., Perez-Jorda J.M. Linear scaling methods for electronic structure calculations. Encyclopedia of computational chemistry 1998, Wiley. P. Schleyer (Ed.).
-
(1998)
Encyclopedia of computational chemistry
-
-
Yang, W.1
Perez-Jorda, J.M.2
-
204
-
-
0000097150
-
Natural bond orbital methods
-
Wiley, New York, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Weinhold F. Natural bond orbital methods. Encyclopedia of computational chemistry 1998, Vol. 3. Wiley, New York. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, vol.3
-
-
Weinhold, F.1
-
214
-
-
84885167662
-
-
ACES II program is a product of the Quantum Theory Project, University of Florida, Integral packages included are VMOL (J. Almlöf, P. Taylor); VPROPS (P.R. Taylor); A modified version of ABACUS integral derivative package (T.U. Helgaker, H.J.Aa. Jensen, J. Olsen, P. Jørgensen, P.R. Taylor).
-
J.F. Stanton, J. Gauss, J.D. Watts, M. Nooijen, N. Oliphant, S.A. Perera, P.G. Szalay, W.J. Lauderdale, S.A. Kucharski, S.R. Gwaltney, S. Beck, A. Balkova, D.E. Bernholdt, K.K. Baeck, P. Rózyczko, H. Sekino, C. Hober, J. Pittner and R.J. Bartlett. ACES II program is a product of the Quantum Theory Project, University of Florida, Integral packages included are VMOL (J. Almlöf, P. Taylor); VPROPS (P.R. Taylor); A modified version of ABACUS integral derivative package (T.U. Helgaker, H.J.Aa. Jensen, J. Olsen, P. Jørgensen, P.R. Taylor).
-
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
Nooijen, M.4
Oliphant, N.5
Perera, S.A.6
Szalay, P.G.7
Lauderdale, W.J.8
Kucharski, S.A.9
Gwaltney, S.R.10
Beck, S.11
Balkova, A.12
Bernholdt, D.E.13
Baeck, K.K.14
Rózyczko, P.15
Sekino, H.16
Hober, C.17
Pittner, J.18
Bartlett, R.J.19
-
215
-
-
84885105356
-
-
This volume
-
J. Simons, this volume.
-
-
-
Simons, j.1
-
217
-
-
84885155549
-
-
Coll. Czech Chem. Comm., in press
-
A. Taube and R.J. Bartlett, Coll. Czech Chem. Comm., in press.
-
-
-
Taube, A.1
Bartlett R.J2
|