-
2
-
-
0038924893
-
-
0020-7608,. 10.1002/(SICI)1097-461X(1998)68:1<1::AID-QUA1>3.0.CO;2- Z
-
O. Christiansen, P. Jørgensen, and C. Hättig, Int. J. Quantum Chem. 0020-7608 68, 1 (1998). 10.1002/(SICI)1097-461X(1998)68:1<1::AID- QUA1>3.0.CO;2-Z
-
(1998)
Int. J. Quantum Chem.
, vol.68
, pp. 1
-
-
Christiansen, O.1
Jørgensen, P.2
Hättig, C.3
-
3
-
-
33847389465
-
Coupled-cluster theory in quantum chemistry
-
DOI 10.1103/RevModPhys.79.291
-
R. J. Bartlett and M. Musial, Rev. Mod. Phys. 0034-6861 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
-
4
-
-
0348215956
-
-
0044-3328,. 10.1007/BF01375457
-
E. A. Hylleraas, Z. Phys. 0044-3328 54, 347 (1929). 10.1007/BF01375457
-
(1929)
Z. Phys.
, vol.54
, pp. 347
-
-
Hylleraas, E.A.1
-
5
-
-
0000600475
-
-
0040-5744,. 10.1007/BF00527669
-
W. Kutzelnigg, Theor. Chim. Acta 0040-5744 68, 445 (1985). 10.1007/BF00527669
-
(1985)
Theor. Chim. Acta
, vol.68
, pp. 445
-
-
Kutzelnigg, W.1
-
6
-
-
0000762903
-
-
0009-2614,. 10.1016/0009-2614(92)87034-M
-
J. Noga, W. Kutzelnigg, and W. Klopper, Chem. Phys. Lett. 0009-2614 199, 497 (1992). 10.1016/0009-2614(92)87034-M
-
(1992)
Chem. Phys. Lett.
, vol.199
, pp. 497
-
-
Noga, J.1
Kutzelnigg, W.2
Klopper, W.3
-
7
-
-
34247633618
-
General orbital invariant MP2-F12 theory
-
DOI 10.1063/1.2712434
-
H. -J. Werner, T. B. Adler, and F. R. Manby, J. Chem. Phys. 0021-9606 126, 164102 (2007). 10.1063/1.2712434 (Pubitemid 46685434)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.16
, pp. 164102
-
-
Werner, H.-J.1
Adler, T.B.2
Manby, F.R.3
-
8
-
-
33746216303
-
-
0144-235X,. 10.1080/01442350600799921
-
W. Klopper, F. R. Manby, S. Ten-no, and E. F. Valeev, Int. Rev. Phys. Chem. 0144-235X 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
-
9
-
-
34247394651
-
Frequency-dependent nonlinear optical properties with explicitly correlated coupled-cluster response theory using the CCSD(R12) model
-
DOI 10.1063/1.2716662
-
C. Neiss and C. Hättig, J. Chem. Phys. 0021-9606 126, 154101 (2007). 10.1063/1.2716662 (Pubitemid 46644904)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.15
, pp. 154101
-
-
Neiss, C.1
Hattig, C.2
-
10
-
-
63649123325
-
-
0021-9606,. 10.1063/1.3093947
-
J. Yang and C. Hättig, J. Chem. Phys. 0021-9606 130, 124101 (2009). 10.1063/1.3093947
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 124101
-
-
Yang, J.1
Hättig, C.2
-
11
-
-
31544446900
-
12 corrections: The CC2-R12 model for excitation energies
-
DOI 10.1063/1.2161183, 044112
-
H. Fliegl, C. Hättig, and W. Klopper, J. Chem. Phys. 0021-9606 124, 044112 (2006). 10.1063/1.2161183 (Pubitemid 43166309)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.4
, pp. 1-13
-
-
Fliegl, H.1
Hattig, C.2
Klopper, W.3
-
12
-
-
33747325647
-
12 corrections to CC2-R12 for excited states
-
DOI 10.1063/1.2335443
-
C. Neiss, C. Hättig, and W. Klopper, J. Chem. Phys. 0021-9606 125, 064111 (2006). 10.1063/1.2335443 (Pubitemid 44239087)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.6
, pp. 064111
-
-
Neiss, C.1
Hattig, C.2
Klopper, W.3
-
13
-
-
62549157078
-
-
0021-9606,. 10.1063/1.3079543
-
A. Köhn, J. Chem. Phys. 0021-9606 130, 104104 (2009). 10.1063/1.3079543
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 104104
-
-
Köhn, A.1
-
14
-
-
5744249665
-
-
0009-2614,. 10.1016/j.cplett.2004.09.041
-
S. Ten-no, Chem. Phys. Lett. 0009-2614 398, 56 (2004). 10.1016/j.cplett.2004.09.041
-
(2004)
Chem. Phys. Lett.
, vol.398
, pp. 56
-
-
Ten-No, S.1
-
15
-
-
34547647924
-
-
0021-9606,. 10.1063/1.1999632
-
D. P. Tew and W. Klopper, J. Chem. Phys. 0021-9606 123, 074101 (2005). 10.1063/1.1999632
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 074101
-
-
Tew, D.P.1
Klopper, W.2
-
16
-
-
3142707293
-
-
0021-9606,. 10.1063/1.1757439
-
S. Ten-no, J. Chem. Phys. 0021-9606 121, 117 (2004). 10.1063/1.1757439
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 117
-
-
Ten-No, S.1
-
18
-
-
37149036190
-
A simple and efficient CCSD(T)-F12 approximation
-
DOI 10.1063/1.2817618
-
T. B. Adler, G. Knizia, and H. -J. Werner, J. Chem. Phys. 0021-9606 127, 221106 (2007). 10.1063/1.2817618 (Pubitemid 350262191)
-
(2007)
Journal of Chemical Physics
, vol.127
, Issue.22
, pp. 221106
-
-
Adler, T.B.1
Knizia, G.2
Werner, H.-J.3
-
19
-
-
59949093519
-
-
0021-9606,. 10.1063/1.3054300
-
G. Knizia, T. B. Adler, and H. -J. Werner, J. Chem. Phys. 0021-9606 130, 054104 (2009). 10.1063/1.3054300
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 054104
-
-
Knizia, G.1
Adler, T.B.2
Werner, H.-J.3
-
20
-
-
44949203528
-
-
1463-9076,. 10.1039/b803426p
-
D. Bokhan, S. Ten-no, and J. Noga, Phys. Chem. Chem. Phys. 1463-9076 10, 3320 (2008). 10.1039/b803426p
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 3320
-
-
Bokhan, D.1
Ten-No, S.2
Noga, J.3
-
21
-
-
64549093307
-
-
0021-9606,. 10.1063/1.3116792
-
A. Köhn, J. Chem. Phys. 0021-9606 130, 131101 (2009). 10.1063/1.3116792
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 131101
-
-
Köhn, A.1
-
22
-
-
22944452424
-
12 corrections: The CCSD(R12) model
-
DOI 10.1063/1.1850094, 084107
-
H. Fliegl, W. Klopper, and C. Hättig, J. Chem. Phys. 0021-9606 122, 084107 (2005). 10.1063/1.1850094 (Pubitemid 41047449)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.8
, pp. 1-10
-
-
Fliegl, H.1
Klopper, W.2
Hattig, C.3
-
23
-
-
34147210792
-
-
1463-9076,. 10.1039/b617230j
-
D. P. Tew, W. Klopper, C. Neiss, and C. Hättig, Phys. Chem. Chem. Phys. 1463-9076 9, 1921 (2007). 10.1039/b617230j
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 1921
-
-
Tew, D.P.1
Klopper, W.2
Neiss, C.3
Hättig, C.4
-
24
-
-
38949139426
-
-
0009-2614,. 10.1016/j.cplett.2007.12.070
-
D. P. Tew, W. Klopper, and C. Hättig, Chem. Phys. Lett. 0009-2614 452, 326 (2008). 10.1016/j.cplett.2007.12.070
-
(2008)
Chem. Phys. Lett.
, vol.452
, pp. 326
-
-
Tew, D.P.1
Klopper, W.2
Hättig, C.3
-
25
-
-
57149135964
-
-
0021-9606,. 10.1063/1.3028546
-
A. Köhn, G. W. Richings, and D. P. Tew, J. Chem. Phys. 0021-9606 129, 201103 (2008). 10.1063/1.3028546
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 201103
-
-
Köhn, A.1
Richings, G.W.2
Tew, D.P.3
-
26
-
-
50249127772
-
-
0021-9606,. 10.1063/1.2967181
-
T. Shiozaki, M. Kamiya, S. Hirata, and E. F. Valeev, J. Chem. Phys. 0021-9606 129, 071101 (2008). 10.1063/1.2967181
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 071101
-
-
Shiozaki, T.1
Kamiya, M.2
Hirata, S.3
Valeev, E.F.4
-
27
-
-
70349619820
-
-
X and B II X are analogous to the intermediates A and Z from Ref..
-
X and B II X are analogous to the intermediates A and Z from Ref..
-
-
-
-
28
-
-
36449003616
-
-
0021-9606,. 10.1063/1.468266
-
J. Noga and W. Kutzelnigg, J. Chem. Phys. 0021-9606 101, 7738 (1994). 10.1063/1.468266
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 7738
-
-
Noga, J.1
Kutzelnigg, W.2
-
29
-
-
70349614804
-
-
DALTON, a molecular electronic structure program, Release 2.0, see.
-
DALTON, a molecular electronic structure program, Release 2.0, 2005, see http://www.kjemi.uio.no/software/dalton/dalton.html.
-
(2005)
-
-
-
30
-
-
4444367231
-
-
0009-2614,. 10.1016/j.cplett.2004.07.061
-
E. F. Valeev, Chem. Phys. Lett. 0009-2614 395, 190 (2004). 10.1016/j.cplett.2004.07.061
-
(2004)
Chem. Phys. Lett.
, vol.395
, pp. 190
-
-
Valeev, E.F.1
-
31
-
-
70349627826
-
-
X based on the auxiliary basis set convergence of α.
-
X based on the auxiliary basis set convergence of α.
-
-
-
-
32
-
-
34547647985
-
-
0021-9606,. 10.1063/1.2173253
-
M. Pecul, F. Pawlowski, P. Jørgensen, A. Köhn, and C. Hättig, J. Chem. Phys. 0021-9606 124, 114101 (2006). 10.1063/1.2173253
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 114101
-
-
Pecul, M.1
Pawlowski, F.2
Jørgensen, P.3
Köhn, A.4
Hättig, C.5
-
34
-
-
0037028480
-
-
0009-2614,. 10.1016/S0009-2614(01)01492-0
-
K. Ruud and T. Helgaker, Chem. Phys. Lett. 0009-2614 352, 533 (2002). 10.1016/S0009-2614(01)01492-0
-
(2002)
Chem. Phys. Lett.
, vol.352
, pp. 533
-
-
Ruud, K.1
Helgaker, T.2
-
35
-
-
3242889162
-
-
0009-2614,. 10.1016/j.cplett.2004.06.065
-
T. Pedersen, H. Koch, L. Boman, and A. M. J. Sánchez de Merás, Chem. Phys. Lett. 0009-2614 393, 319 (2004). 10.1016/j.cplett. 2004.06.065
-
(2004)
Chem. Phys. Lett.
, vol.393
, pp. 319
-
-
Pedersen, T.1
Koch, H.2
Boman, L.3
Sánchez De Merás, A.M.J.4
-
36
-
-
37249073463
-
The current state of ab initio calculations of optical rotation and electronic circular dichroism spectra
-
DOI 10.1021/jp075046u
-
T. D. Crawford, M. C. Tam, and M. L. Abrams, J. Phys. Chem. A 1089-5639 111, 12057 (2007). 10.1021/jp075046u (Pubitemid 350275434)
-
(2007)
Journal of Physical Chemistry A
, vol.111
, Issue.48
, pp. 12057-12068
-
-
Crawford, T.D.1
Tam, M.C.2
Abrams, M.L.3
-
37
-
-
0000420236
-
-
0009-2614,. 10.1016/S0009-2614(00)00157-3
-
P. Polavarapu, D. Chakraborty, and K. Ruud, Chem. Phys. Lett. 0009-2614 319, 595 (2000). 10.1016/S0009-2614(00)00157-3
-
(2000)
Chem. Phys. Lett.
, vol.319
, pp. 595
-
-
Polavarapu, P.1
Chakraborty, D.2
Ruud, K.3
-
38
-
-
33746614482
-
-
0021-9606,. 10.1063/1.456153
-
T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 90, 1007 (1989). 10.1063/1.456153
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, Jr.T.H.1
-
40
-
-
0037091216
-
Explicitly correlated second-order Møller-Plesset methods with auxiliary basis sets
-
DOI 10.1063/1.1461814
-
W. Klopper and C. C. M. Samson, J. Chem. Phys. 0021-9606 116, 6397 (2002). 10.1063/1.1461814 (Pubitemid 34460115)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.15
, pp. 6397-6410
-
-
Klopper, W.1
Samson, C.C.M.2
-
41
-
-
24644489592
-
2 molecule calculated using the approximate coupled cluster triples model CC3
-
DOI 10.1016/j.cplett.2005.06.130, PII S0009261405009681
-
F. Pawlowski, P. Jørgensen, and C. Hättig, Chem. Phys. Lett. 0009-2614 413, 272 (2005). 10.1016/j.cplett.2005.06.130 (Pubitemid 41285230)
-
(2005)
Chemical Physics Letters
, vol.413
, Issue.4-6
, pp. 272-279
-
-
Pawlowski, F.1
Jorgensen, P.2
Hattig, C.3
|