-
1
-
-
33750044880
-
-
RCCHEY 1069-3599 10.1002/0471678856.ch3.
-
S. Grimme, Rev. Comput. Chem. RCCHEY 1069-3599 10.1002/0471678856.ch3 20, 153 (2004).
-
(2004)
Rev. Comput. Chem.
, vol.20
, pp. 153
-
-
Grimme, S.1
-
2
-
-
0012597289
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.52.997.
-
E. Runge and E. K. U. Gross, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984).
-
(1984)
Phys. Rev. Lett.
, vol.52
, pp. 997
-
-
Runge, E.1
Gross, E.K.U.2
-
5
-
-
84946362024
-
-
MOPHAM 0026-8976 10.1080/00268977900102871.
-
D. Hegarty and M. A. Robb, Mol. Phys. MOPHAM 0026-8976 10.1080/00268977900102871 38, 1795 (1979).
-
(1979)
Mol. Phys.
, vol.38
, pp. 1795
-
-
Hegarty, D.1
Robb, M.A.2
-
6
-
-
0000660917
-
-
CHPLBC 0009-2614 10.1016/0009-2614(81)85480-2.
-
R. H. E. Eade and M. A. Robb, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(81)85480-2 83, 362 (1981).
-
(1981)
Chem. Phys. Lett.
, vol.83
, pp. 362
-
-
Eade, R.H.E.1
Robb, M.A.2
-
7
-
-
36749111718
-
-
JCPSA6 0021-9606 10.1063/1.436028.
-
H. Nakatsuji and K. Hirao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.436028 68, 2053 (1978).
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 2053
-
-
Nakatsuji, H.1
Hirao, K.2
-
10
-
-
0000298163
-
-
JCPSA6 0021-9606 10.1063/1.473322.
-
H. Koch, O. Christiansen, P. Jørgensen, T. Helgaker, and A. S. de Meras, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473322 106, 1808 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1808
-
-
Koch, H.1
Christiansen, O.2
Jørgensen, P.3
Helgaker, T.4
De Meras, A.S.5
-
11
-
-
0034301458
-
-
JCPSA6 0021-9606 10.1063/1.1290013.
-
C. Hättig and F. Weigend, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1290013 113, 5154 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 5154
-
-
Hättig, C.1
Weigend, F.2
-
12
-
-
33751325382
-
-
CPCHFT 1439-4235 10.1002/cphc.200600064.
-
A. Dreuw, ChemPhysChem CPCHFT 1439-4235 10.1002/cphc.200600064 7, 2259 (2006).
-
(2006)
ChemPhysChem
, vol.7
, pp. 2259
-
-
Dreuw, A.1
-
13
-
-
0036769464
-
-
EPJDF6 1434-6060 10.1140/epjd/e2002-00164-5.
-
A. L. Sobolewski and W. Domcke, Eur. Phys. J. D EPJDF6 1434-6060 10.1140/epjd/e2002-00164-5 20, 369 (2002).
-
(2002)
Eur. Phys. J. D
, vol.20
, pp. 369
-
-
Sobolewski, A.L.1
Domcke, W.2
-
14
-
-
0036202338
-
-
PPCPFQ 1463-9076 10.1039/b110941n.
-
A. L. Sobolewski, W. Domcke, C. Dedonder-Lardeux, and C. Jouvet, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b110941n 4, 1093 (2002).
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 1093
-
-
Sobolewski, A.L.1
Domcke, W.2
Dedonder-Lardeux, C.3
Jouvet, C.4
-
16
-
-
0000230721
-
-
JCPSA6 0021-9606 10.1063/1.479866.
-
S. Grimme and M. Waletzke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479866 111, 5645 (1999).
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 5645
-
-
Grimme, S.1
Waletzke, M.2
-
17
-
-
24044507954
-
-
PPCPFQ 1463-9076 10.1039/b505954b.
-
K. A. Seefeld, C. Plützer, D. Löwenich, T. Häber, L. R. K. Kleinermanns, J. Tatchen, and C. M. Marian, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b505954b 7, 3021 (2005).
-
(2005)
Phys. Chem. Chem. Phys.
, vol.7
, pp. 3021
-
-
Seefeld, K.A.1
Plützer, C.2
Löwenich, D.3
Häber, T.4
Kleinermanns, L.R.K.5
Tatchen, J.6
Marian, C.M.7
-
19
-
-
0037015749
-
-
JPCBFK 1089-5647 10.1021/jp020963f.
-
A. Damjanovic, H. M. Vaswani, P. Fromme, and G. R. Fleming, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp020963f 106, 10251 (2002).
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 10251
-
-
Damjanovic, A.1
Vaswani, H.M.2
Fromme, P.3
Fleming, G.R.4
-
20
-
-
1842588294
-
-
JCPSA6 0021-9606 10.1063/1.1642595.
-
M. Dierksen and S. Grimme, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1642595 120, 3544 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 3544
-
-
Dierksen, M.1
Grimme, S.2
-
21
-
-
9944259945
-
-
JPCAFH 1089-5639 10.1021/jp047289h.
-
M. Dierksen and S. Grimme, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp047289h 108, 10225 (2004).
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 10225
-
-
Dierksen, M.1
Grimme, S.2
-
22
-
-
0030794947
-
-
JACSAT 0002-7863 10.1021/ja9610895.
-
M. Garavelli, P. Celani, F. Bernardi, M. A. Robb, and M. Olivucci, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja9610895 119, 6891 (1997).
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 6891
-
-
Garavelli, M.1
Celani, P.2
Bernardi, F.3
Robb, M.A.4
Olivucci, M.5
-
24
-
-
0141450368
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(03)01062-5.
-
F. Blomgren and S. Larsson, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(03)01062-5 376, 704 (2003).
-
(2003)
Chem. Phys. Lett.
, vol.376
, pp. 704
-
-
Blomgren, F.1
Larsson, S.2
-
25
-
-
0000741029
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.26.2395.
-
J. Schirmer, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.26.2395 26, 2395 (1982).
-
(1982)
Phys. Rev. A
, vol.26
, pp. 2395
-
-
Schirmer, J.1
-
26
-
-
34247397080
-
-
JPAPEH 0953-4075 10.1088/0953-4075/28/12/003.
-
A. B. Trofimov and J. Schirmer, J. Phys. B JPAPEH 0953-4075 10.1088/0953-4075/28/12/003 28, 2299 (1995).
-
(1995)
J. Phys. B
, vol.28
, pp. 2299
-
-
Trofimov, A.B.1
Schirmer, J.2
-
29
-
-
3142694110
-
-
JCPSA6 0021-9606 10.1063/1.1752875.
-
J. Schirmer and A. B. Trofimov, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1752875 120, 11449 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 11449
-
-
Schirmer, J.1
Trofimov, A.B.2
-
32
-
-
6944251055
-
-
PHRVAO 0031-899X 10.1103/PhysRev.46.618.
-
C. Møller and M. S. Plesset, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.46.618 46, 618 (1934).
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Møller, C.1
Plesset, M.S.2
-
33
-
-
0000633144
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.53.2140.
-
F. Mertins and J. Schirmer, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.53.2140 53, 2140 (1996).
-
(1996)
Phys. Rev. A
, vol.53
, pp. 2140
-
-
Mertins, F.1
Schirmer, J.2
-
37
-
-
33749518851
-
-
CMPHC2 0301-0104 10.1016/j.chemphys.2006.07.020.
-
J. H. Starcke, M. Wormit, J. Schirmer, and A. Dreuw, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2006.07.020 329, 39 (2006).
-
(2006)
Chem. Phys.
, vol.329
, pp. 39
-
-
Starcke, J.H.1
Wormit, M.2
Schirmer, J.3
Dreuw, A.4
-
38
-
-
0003121808
-
-
NUPBBO 0550-3213 10.1016/0375-9474(81)90179-2.
-
K. Emrich, Nucl. Phys. NUPBBO 0550-3213 10.1016/0375-9474(81)90179-2 A351, 379 (1981).
-
(1981)
Nucl. Phys.
, vol.351
, pp. 379
-
-
Emrich, K.1
-
41
-
-
0000198328
-
-
CMPHC2 0301-0104 10.1016/0301-0104(79)80153-6.
-
D. Mukherjee and P. Mukherjee, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(79)80153-6 39, 325 (1979).
-
(1979)
Chem. Phys.
, vol.39
, pp. 325
-
-
Mukherjee, D.1
Mukherjee, P.2
-
42
-
-
36549100024
-
-
JCPSA6 0021-9606 10.1063/1.458814.
-
H. Koch and P. Jørgensen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458814 93, 3333 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 3333
-
-
Koch, H.1
Jørgensen, P.2
-
43
-
-
0001410155
-
-
ZZZZZZ 0300-922X.
-
T. Bally, C. Carra, M. P. Fülscher, and Z. Zhu, J. Chem. Soc. [Perkin 1] ZZZZZZ 0300-922X 2, 1759 (1998).
-
(1998)
J. Chem. Soc. [Perkin 1]
, vol.2
, pp. 1759
-
-
Bally, T.1
Carra, C.2
Fülscher, M.P.3
Zhu, Z.4
-
46
-
-
0035146431
-
-
0910-6340
-
Y. Esaka, N. Okumura, B. Uno, and M. Goto, Anal. Sci. 17, 99 (2001). 0910-6340
-
(2001)
Anal. Sci.
, vol.17
, pp. 99
-
-
Esaka, Y.1
Okumura, N.2
Uno, B.3
Goto, M.4
-
47
-
-
0000637382
-
-
JPCHAX 0022-3654 10.1021/j100440a013.
-
H. Hiratsuka, T. Okamura, I. Tanaka, and Y. Tanizaki, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100440a013 84, 285 (1980).
-
(1980)
J. Phys. Chem.
, vol.84
, pp. 285
-
-
Hiratsuka, H.1
Okamura, T.2
Tanaka, I.3
Tanizaki, Y.4
-
48
-
-
37049048494
-
-
TFSOA4 0014-7672 10.1039/tf9635902027.
-
E. J. Land and G. Porter, Trans. Faraday Soc. TFSOA4 0014-7672 10.1039/tf9635902027 59, 2027 (1963).
-
(1963)
Trans. Faraday Soc.
, vol.59
, pp. 2027
-
-
Land, E.J.1
Porter, G.2
-
49
-
-
0000522417
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(99)00050-0.
-
J. G. Radziszewski, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(99)00050-0 301, 565 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.301
, pp. 565
-
-
Radziszewski, J.G.1
-
50
-
-
0035578243
-
-
JCPSA6 0021-9606 10.1063/1.1415465.
-
J. G. Radziszewski, M. Gil, A. Gorski, J. Spanget-Larsen, J. Waluk, and B. Mroz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1415465 115, 9733 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 9733
-
-
Radziszewski, J.G.1
Gil, M.2
Gorski, A.3
Spanget-Larsen, J.4
Waluk, J.5
Mroz, B.6
-
51
-
-
36449006412
-
-
JCPSA6 0021-9606 10.1063/1.460230.
-
F. Salama and L. J. Allamandola, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460230 94, 6964 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 6964
-
-
Salama, F.1
Allamandola, L.J.2
-
54
-
-
0000392677
-
-
CHPLBC 0009-2614 10.1016/0009-2614(77)80066-3.
-
R. Manne, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(77)80066-3 45, 470 (1977).
-
(1977)
Chem. Phys. Lett.
, vol.45
, pp. 470
-
-
Manne, R.1
-
55
-
-
84987133683
-
-
IJQCB2 0020-7608 10.1002/qua.560150204.
-
E. Dalgaard, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.560150204 15, 169 (1979).
-
(1979)
Int. J. Quantum Chem.
, vol.15
, pp. 169
-
-
Dalgaard, E.1
-
56
-
-
0000815132
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.43.4647.
-
J. Schirmer, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.43.4647 43, 4647 (1991).
-
(1991)
Phys. Rev. A
, vol.43
, pp. 4647
-
-
Schirmer, J.1
-
58
-
-
33746563448
-
-
PPCPFQ 1463-9076 10.1039/b517914a.
-
Y. Shao, L. F. Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S. T. Brown, A. T. B. Gilbert, L. V. Slipchenko, S. V. Levchenko, D. P. O'Neill, R. A. DiStacio, Jr., R. C. Lochan, T. Wang, G. J. O. Beran, N. A. Besley, J. M. Herbert, C. Y. Lin, T. V. Voorhis, S. H. Chien, A. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson, B. Austin, J. Baker, E. F. C. Byrd, H. Dachsel, R. J. Doerksen, A. Dreuw, B. D. Dunietz, A. D. Dutoi, T. R. Furlani, S. R. Gwaltney, A. Heyden, S. Hirata, C. -P. Hsu, G. Kedziora, R. Z. Khalliulin, P. Klunzinger, A. M. Lee, M. S. Lee, W. Liang, I. Lotan, N. Nair, B. Peters, E. I. Proynov, P. A. Pieniazek, Y. M. Rhee, J. Ritchie, E. Rosta, C. D. Sherrill, A. C. Simmonett, J. E. Subotnik, H. L. Woodcock III, W. Zhang, A. T. Bell, and A. K. Chakraborty, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b517914a 8, 3172 (2006).
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 3172
-
-
Shao, Y.1
Molnar, L.F.2
Jung, Y.3
Kussmann, J.4
Ochsenfeld, C.5
Brown, S.T.6
Gilbert, A.T.B.7
Slipchenko, L.V.8
Levchenko, S.V.9
O'Neill, D.P.10
Distacio Jr., R.A.11
Lochan, R.C.12
Wang, T.13
Beran, G.J.O.14
Besley, N.A.15
Herbert, J.M.16
Lin, C.Y.17
Voorhis, T.V.18
Chien, S.H.19
Sodt, A.20
Steele, R.P.21
Rassolov, V.A.22
Maslen, P.E.23
Korambath, P.P.24
Adamson, R.D.25
Austin, B.26
Baker, J.27
Byrd, E.F.C.28
Dachsel, H.29
Doerksen, R.J.30
Dreuw, A.31
Dunietz, B.D.32
Dutoi, A.D.33
Furlani, T.R.34
Gwaltney, S.R.35
Heyden, A.36
Hirata, S.37
Hsu, C.-P.38
Kedziora, G.39
Khalliulin, R.Z.40
Klunzinger, P.41
Lee, A.M.42
Lee, M.S.43
Liang, W.44
Lotan, I.45
Nair, N.46
Peters, B.47
Proynov, E.I.48
Pieniazek, P.A.49
Rhee, Y.M.50
Ritchie, J.51
Rosta, E.52
Sherrill, C.D.53
Simmonett, A.C.54
Subotnik, J.E.55
Iii, W.L.H.56
Zhang, W.57
Bell, A.T.58
Chakraborty, A.K.59
more..
-
61
-
-
0003418036
-
-
Part I (World Scientific, Singapore),.
-
B. O. Roos and K. Andresson, Modern Electronic Structure Theory, Part I (World Scientific, Singapore, 1995), p. 55.
-
(1995)
Modern Electronic Structure Theory
, pp. 55
-
-
Roos, B.O.1
Andresson, K.2
-
63
-
-
3543087034
-
-
(Reidel, Dordrecht)
-
R. J. Buenker, S. D. Peyerimhoff, and P. J. Bruna Computational Theoretical Organic Chemistry (Reidel, Dordrecht, 1981), p. 91.
-
(1981)
Computational Theoretical Organic Chemistry
, pp. 91
-
-
Buenker, R.J.1
Peyerimhoff, S.D.2
Bruna, P.J.3
|