-
8
-
-
0000063192
-
Coupled cluster methods in quantum chemistry
-
Roos B (ed) European summer School in quantum chemistry, Springer, Berlin Heidelberg New York
-
Taylor PR (1994) Coupled cluster methods in quantum chemistry. In: Roos B (ed) Lecture Notes in Quantum Chemistry II, European summer School in quantum chemistry, Springer, Berlin Heidelberg New York
-
(1994)
Lecture Notes in Quantum Chemistry II
-
-
Taylor, P.R.1
-
9
-
-
0000111526
-
Coupled cluster theory
-
Schleyer PvR, Allinger NL, Clark T, Gasteiger J, Kollmann PA, Schaefer HF, Schreiner PR (eds) Wiley, Chichester
-
Gauss J (1998) Coupled cluster theory. In: Schleyer PvR, Allinger NL, Clark T, Gasteiger J, Kollmann PA, Schaefer HF, Schreiner PR (eds) Encyclopedia of computational chemistry. Wiley, Chichester
-
(1998)
Encyclopedia of Computational Chemistry
-
-
Gauss, J.1
-
11
-
-
0002232881
-
-
Wilson S, Diercksen GHF (eds) Plenum Press, New York
-
Paldus, J (1992) In: Wilson S, Diercksen GHF (eds) Methods in computational physics, pp 99-194. Plenum Press, New York
-
(1992)
Methods in Computational Physics
, pp. 99-194
-
-
Paldus, J.1
-
13
-
-
0001039562
-
Coupled-cluster theory: An overview of recent developments
-
Yarkony DR (ed) World Scientific, Singapore
-
Bartlett RJ (1995) Coupled-cluster theory: an overview of recent developments. In: Yarkony DR (ed) Modern electronic structure theory, vol 2. World Scientific, Singapore
-
(1995)
Modern Electronic Structure Theory
, vol.2
-
-
Bartlett, R.J.1
-
33
-
-
15844399329
-
-
Dean DJ, Gour JR, Hagen G, Hjorth-Jensen M, Kowalski K, Papenbrock T, Piecuch P, Wloch M (2005) Nuc Phys A 752:299C
-
(2005)
Nuc Phys A
, vol.752
-
-
Dean, D.J.1
Gour, J.R.2
Hagen, G.3
Hjorth-Jensen, M.4
Kowalski, K.5
Papenbrock, T.6
Piecuch, P.7
Wloch, M.8
-
43
-
-
0000298163
-
-
Koch H, Christiansen O, Jørgensen P, de Meras AS, Helgaker T (1997) J Chem Phys 106:1808
-
(1997)
J Chem Phys
, vol.106
, pp. 1808
-
-
Koch, H.1
Christiansen, O.2
Jørgensen, P.3
De Meras, A.S.4
Helgaker, T.5
-
45
-
-
0004279489
-
-
Jensen P, Bunker PR eds. Wiley, Chichester
-
Jensen P, Bunker PR eds. (2000) Computational molecular spectroscopy. Wiley, Chichester
-
(2000)
Computational Molecular Spectroscopy
-
-
-
49
-
-
0002605313
-
The vibrational self-consistent field approach and extensions: Method and applications to spectroscopy of large molecules and clusters
-
Jensen P, Bunker PR (eds) Wiley, Chichester
-
Gerber R, Jung J (2000) The vibrational self-consistent field approach and extensions: Method and applications to spectroscopy of large molecules and clusters. In: Jensen P, Bunker PR (eds) Computational molecular spectroscopy. pp 365-390, Wiley, Chichester
-
(2000)
Computational Molecular Spectroscopy
, pp. 365-390
-
-
Gerber, R.1
Jung, J.2
-
63
-
-
0002886524
-
Calculation of geometrical derivatives in molecular electronic structure theory
-
Wilson S, Diercksen GHF (eds) Plenum Press, New York
-
Helgaker T, Jørgensen P (1982) Calculation of geometrical derivatives in molecular electronic structure theory. In: Wilson S, Diercksen GHF (eds) Methods in computational physics, pp 513-421. Plenum Press, New York
-
(1982)
Methods in Computational Physics
, pp. 513-1421
-
-
Helgaker, T.1
Jørgensen, P.2
-
64
-
-
36549104446
-
-
Koch H, Jensen H, Jørgensen P, Helgaker T, Scuseria G, Schaefer H (1990) J Chem Phys 92:4924
-
(1990)
J Chem Phys
, vol.92
, pp. 4924
-
-
Koch, H.1
Jensen, H.2
Jørgensen, P.3
Helgaker, T.4
Scuseria, G.5
Schaefer, H.6
-
72
-
-
36348991421
-
Accurate nlo properties for small molecules, methods and results
-
Papadopoulos M, Leszczynski J, Sadlej A (eds) Kluwer, Dordrecht
-
Christiansen O, Coriani S, Gauss J, Hättig C, Jørgensen P, Pawlowski F, Rizzo A (2005) Accurate nlo properties for small molecules, methods and results. In: Papadopoulos M, Leszczynski J, Sadlej A (eds) Nonlinear optical properties of matter: from molecules to condensed phases. Kluwer, Dordrecht
-
(2005)
Nonlinear Optical Properties of Matter: From Molecules to Condensed Phases
-
-
Christiansen, O.1
Coriani, S.2
Gauss, J.3
Hättig, C.4
Jørgensen, P.5
Pawlowski, F.6
Rizzo, A.7
-
86
-
-
1642302315
-
-
Hirata S, Yanai T, de Jong WA, Nakajima T, Hirao K (2004) J Chem Phys 120:3297
-
(2004)
J Chem Phys
, vol.120
, pp. 3297
-
-
Hirata, S.1
Yanai, T.2
De Jong, W.A.3
Nakajima, T.4
Hirao, K.5
-
87
-
-
2342517577
-
-
Cencek W, Jeziorska M, Bukowski R, Jaszunski M, Jeziorski B, Szalewicz K (2004) J Phys Chem A 108:3211
-
(2004)
J Phys Chem A
, vol.108
, pp. 3211
-
-
Cencek, W.1
Jeziorska, M.2
Bukowski, R.3
Jaszunski, M.4
Jeziorski, B.5
Szalewicz, K.6
-
121
-
-
33746899082
-
Bond breaking in quantum chemistry
-
Spellmeyer D (ed) Elevier, Amsterdam
-
Sherrill CD (2005) Bond breaking in quantum chemistry. In: Spellmeyer D (ed) Annual reports in computational chemistry, vol 1, pp 45-54 Elevier, Amsterdam
-
(2005)
Annual Reports in Computational Chemistry
, vol.1
, pp. 45-54
-
-
Sherrill, C.D.1
-
144
-
-
24144490637
-
-
Maslen PE, Dutoi AD, Lee MS, Shao YH, Head-Gordon M (2005) Mol Phys 103:425
-
(2005)
Mol Phys
, vol.103
, pp. 425
-
-
Maslen, P.E.1
Dutoi, A.D.2
Lee, M.S.3
Shao, Y.H.4
Head-Gordon, M.5
-
167
-
-
16144366604
-
-
Christiansen O, Olsen J, Jørgensen P, Koch H, Malmqvist P-Å (1996) Chem Phys Lett 261:369
-
(1996)
Chem Phys Lett
, vol.261
, pp. 369
-
-
Christiansen, O.1
Olsen, J.2
Jørgensen, P.3
Koch, H.4
Malmqvist, P.-Å.5
-
171
-
-
0001016677
-
-
Koch H, Christiansen O, Kobayashi R, Jørgensen P, Helgaker T (1994) Chem Phys Lett 228:233
-
(1994)
Chem Phys Lett
, vol.228
, pp. 233
-
-
Koch, H.1
Christiansen, O.2
Kobayashi, R.3
Jørgensen, P.4
Helgaker, T.5
-
173
-
-
0001260773
-
-
Scheiner AC, Scuseria GE, Rice JE, Lee TJ, Schaefer HF (1987) J Chem Phys 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
-
176
-
-
0000186252
-
Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions
-
Yarkony DR (ed) chap 13. World Scientific, Singapore
-
Olsen J, Jørgensen P ( 1995) Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions. In: Yarkony DR (ed) Modern electronic structure theory, vol 2, chap 13, pp 857-990. World Scientific, Singapore
-
(1995)
Modern Electronic Structure Theory
, vol.2
, pp. 857-990
-
-
Olsen, J.1
Jørgensen, P.2
-
177
-
-
0000119849
-
-
Christiansen O, Halkier A, Koch H, Jørgensen P, Helgaker T (1998) J Chem Phys 108:2801
-
(1998)
J Chem Phys
, vol.108
, pp. 2801
-
-
Christiansen, O.1
Halkier, A.2
Koch, H.3
Jørgensen, P.4
Helgaker, T.5
-
189
-
-
20844438975
-
-
Bomble YJ, Saeh JC, Stanton JF, Szalay PG, Kallay M, Gauss J (2005) J Chem Phys 122:154107
-
(2005)
J Chem Phys
, vol.122
, pp. 154107
-
-
Bomble, Y.J.1
Saeh, J.C.2
Stanton, J.F.3
Szalay, P.G.4
Kallay, M.5
Gauss, J.6
-
195
-
-
0001195357
-
-
Christiansen O, Koch H, Halkier A, Jørgensen P, Helgaker T, de Meras AS (1996) J Chem Phys 105:6921
-
(1996)
J Chem Phys
, vol.105
, pp. 6921
-
-
Christiansen, O.1
Koch, H.2
Halkier, A.3
Jørgensen, P.4
Helgaker, T.5
De Meras, A.S.6
-
225
-
-
27844581331
-
-
Hirata S, Valiev M, Dupuis M, Xantheas SS, Sugiki S, Sekino H (2005) Mol Phys 103:2255
-
(2005)
Mol Phys
, vol.103
, pp. 2255
-
-
Hirata, S.1
Valiev, M.2
Dupuis, M.3
Xantheas, S.S.4
Sugiki, S.5
Sekino, H.6
-
226
-
-
7044237445
-
-
Kongsted J, Osted A, Pedersen TB, Mikkelsen KV, Christiansen O (2004) J Phys Chem A 108:8624
-
(2004)
J Phys Chem A
, vol.108
, pp. 8624
-
-
Kongsted, J.1
Osted, A.2
Pedersen, T.B.3
Mikkelsen, K.V.4
Christiansen, O.5
-
227
-
-
9744232159
-
-
Kongsted J, Osted A, Mikkelsen KV, Åstrand PO, Christiansen O (2004) J Chem Phys 121:8435
-
(2004)
J Chem Phys
, vol.121
, pp. 8435
-
-
Kongsted, J.1
Osted, A.2
Mikkelsen, K.V.3
Åstrand, P.O.4
Christiansen, O.5
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