-
1
-
-
36749105013
-
-
10.1063/1.435782
-
J. M. Bowman, J. Chem. Phys. 68, 608 (1978). 10.1063/1.435782
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 608
-
-
Bowman, J.M.1
-
6
-
-
24944469254
-
Beyond vibrational self-consistent-field methods: Benchmark calculations for the fundamental vibrations of ethylene
-
DOI 10.1002/qua.20615, Modeling of Vibrational Spectroscopies
-
O. Christiansen and J. M. Luis, J. Int. Quantum Chem. 104, 667 (2005). 10.1002/qua.20615 (Pubitemid 41305526)
-
(2005)
International Journal of Quantum Chemistry
, vol.104
, Issue.5
, pp. 667-680
-
-
Christiansen, O.1
Luis, J.M.2
-
7
-
-
33845548990
-
Exploring the effect of anharmonicity of molecular vibrations on thermodynamic properties
-
DOI 10.1063/1.2395940
-
B. Njegic and M. S. Gordon, J. Chem. Phys. 125, 224102 (2006). 10.1063/1.2395940 (Pubitemid 44927403)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.22
, pp. 224102
-
-
Njegic, B.1
Gordon, M.S.2
-
8
-
-
34047275110
-
Accurate calculation of anharmonic vibrational frequencies of medium sized molecules using local coupled cluster methods
-
DOI 10.1063/1.2718951
-
T. Hrenar, H. Werner, and G. Rauhut, J. Chem. Phys. 126, 134108 (2007). 10.1063/1.2718951 (Pubitemid 46550228)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.13
, pp. 134108
-
-
Hrenar, T.1
Werner, H.-J.2
Rauhut, G.3
-
16
-
-
0000445589
-
-
10.1021/j100159a035
-
J. Ziga, A. Bastida, A. Requena, and A. Hidalgo, J. Phys. Chem. 95, 2292 (1991). 10.1021/j100159a035
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 2292
-
-
Ziga, J.1
Bastida, A.2
Requena, A.3
Hidalgo, A.4
-
18
-
-
43049174596
-
-
10.1016/j.chemphys.2007.12.002
-
M. Bounouar and Ch. Scheurer, Chem. Phys. 347, 194 (2008). 10.1016/j.chemphys.2007.12.002
-
(2008)
Chem. Phys.
, vol.347
, pp. 194
-
-
Bounouar, M.1
Scheurer, Ch.2
-
20
-
-
77955422426
-
-
10.1016/j.chemphys.2010.05.025
-
I. Suwan and R. B. Gerber, Chem. Phys. 373, 267 (2010). 10.1016/j.chemphys.2010.05.025
-
(2010)
Chem. Phys.
, vol.373
, pp. 267
-
-
Suwan, I.1
Gerber, R.B.2
-
21
-
-
36149004990
-
-
10.1103/PhysRev.32.812
-
B. Podolsky, Phys. Rev. 32, 812 (1928). 10.1103/PhysRev.32.812
-
(1928)
Phys. Rev.
, vol.32
, pp. 812
-
-
Podolsky, B.1
-
24
-
-
0037088357
-
Exact numerical computation of a kinetic energy operator in curvilinear coordinates
-
DOI 10.1063/1.1469019
-
D. Lauvergnat and A. Nauts, J. Chem. Phys. 116, 8560 (2002). 10.1063/1.1469019 (Pubitemid 34599854)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.19
, pp. 8560-8570
-
-
Lauvergnat, D.1
Nauts, A.2
-
25
-
-
35248890015
-
3 fragment: A curvilinear coordinate system and kinetic energy operators
-
DOI 10.1063/1.2779034
-
C. Evenhuis, G. Nyman, and U. Mathe, J. Chem. Phys. 127, 144302 (2007). 10.1063/1.2779034 (Pubitemid 47569003)
-
(2007)
Journal of Chemical Physics
, vol.127
, Issue.14
, pp. 144302
-
-
Evenhuis, C.1
Nyman, G.2
Manthe, U.3
-
26
-
-
84945599356
-
-
10.1080/00268976800101381
-
J. Watson, Mol. Phys. 15, 479 (1968). 10.1080/00268976800101381
-
(1968)
Mol. Phys.
, vol.15
, pp. 479
-
-
Watson, J.1
-
27
-
-
79951779500
-
-
10.1063/1.3551513
-
M. Neff, T. Hrenar, D. Oschetzki, and G. Rauhut, J. Chem. Phys. 134, 064105 (2011). 10.1063/1.3551513
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 064105
-
-
Neff, M.1
Hrenar, T.2
Oschetzki, D.3
Rauhut, G.4
-
28
-
-
80054982494
-
The hierarchical expansion of the kinetic energy operator in curvilinear coordinates extended to the vibrational configuration interaction method
-
(submitted)
-
D. Strobusch and Ch. Scheurer, The hierarchical expansion of the kinetic energy operator in curvilinear coordinates extended to the vibrational configuration interaction method., J. Chem. Phys. (submitted).
-
J. Chem. Phys.
-
-
Strobusch, D.1
Scheurer, Ch.2
-
29
-
-
0001557769
-
-
10.1063/1.479534
-
B. Kuhn, T. R. Rizzo, D. Luckhaus, M. Quack, and M. A. Suhm, J. Chem. Phys. 111, 2565 (1999). 10.1063/1.479534
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 2565
-
-
Kuhn, B.1
Rizzo, T.R.2
Luckhaus, D.3
Quack, M.4
Suhm, M.A.5
-
30
-
-
0000814944
-
-
10.1063/1.480101
-
J. H. Frederick, J. Chem. Phys. 111, 7255 (1999). 10.1063/1.480101
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 7255
-
-
Frederick, J.H.1
-
34
-
-
0034224637
-
-
10.1063/1.481924
-
D. Luckhaus, J. Chem. Phys. 113, 1329 (2000). 10.1063/1.481924
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 1329
-
-
Luckhaus, D.1
-
35
-
-
0035868441
-
Six-dimensional quantum calculations of highly excited vibrational energy levels of hydrogen peroxide and its deuterated isotopomers
-
DOI 10.1063/1.1348274
-
R. Chen, G. Ma, and H. Guo, J. Chem. Phys. 114, 4763 (2001). 10.1063/1.1348274 (Pubitemid 32287629)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.11
, pp. 4763-4774
-
-
Chen, R.1
Ma, G.2
Guo, H.3
-
38
-
-
0002563037
-
-
10.1016/0022-2852(86)90091-3
-
J. J. Hillman, D. E. Jennings, W. B. Olson, and A. Goldman, J. Mol. Spectrosc. 117, 46 (1986). 10.1016/0022-2852(86)90091-3
-
(1986)
J. Mol. Spectrosc.
, vol.117
, pp. 46
-
-
Hillman, J.J.1
Jennings, D.E.2
Olson, W.B.3
Goldman, A.4
-
39
-
-
0001877003
-
-
10.1016/0022-2852(88)90004-5
-
W. B. Olson, R. H. Hunt, B. W. Young, A. G. Maki, and J. W. Brault, J. Mol. Spectrosc. 127, 12 (1988). 10.1016/0022-2852(88)90004-5
-
(1988)
J. Mol. Spectrosc.
, vol.127
, pp. 12
-
-
Olson, W.B.1
Hunt, R.H.2
Young, B.W.3
Maki, A.G.4
Brault, J.W.5
-
40
-
-
36549092530
-
-
10.1063/1.457110
-
J. Flaud, C. Camy-Peyret, J. W. C. Johns, and B. Carli, J. Chem. Phys. 91, 1504 (1989). 10.1063/1.457110
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 1504
-
-
Flaud, J.1
Camy-Peyret, C.2
Johns, J.W.C.3
Carli, B.4
-
41
-
-
3342929854
-
-
10.1016/0022-2852(92)90550-8
-
C. Camy-Peyret, J. Flaud, J. W. C. Johns, and M. No el, J. Mol. Spectrosc. 155, 84 (1992). 10.1016/0022-2852(92)90550-8
-
(1992)
J. Mol. Spectrosc.
, vol.155
, pp. 84
-
-
Camy-Peyret, C.1
Flaud, J.2
Johns, J.W.C.3
No El, M.4
-
42
-
-
0001526739
-
-
10.1006/jms1995.1125
-
A. Perrin, A. Valentin, J. Flaud, C. Camy-Peyret, L. Schriver, A. Schriver, and P. Arcas, J. Mol. Spectrosc. 171, 358 (1995). 10.1006/jmsp.1995. 1125
-
(1995)
J. Mol. Spectrosc.
, vol.171
, pp. 358
-
-
Perrin, A.1
Valentin, A.2
Flaud, J.3
Camy-Peyret, C.4
Schriver, L.5
Schriver, A.6
Arcas, P.7
-
43
-
-
0002497769
-
-
10.1006/jms1995.1104
-
W. B. Cook, R. H. Hunt, W. N. Shelton, and F. A. Flaherty, J. Mol. Spectrosc. 171, 91 (1995). 10.1006/jmsp.1995.1104
-
(1995)
J. Mol. Spectrosc.
, vol.171
, pp. 91
-
-
Cook, W.B.1
Hunt, R.H.2
Shelton, W.N.3
Flaherty, F.A.4
-
44
-
-
80053485721
-
-
See supplementary material at E-JCPSA6-135-039135 for detailed data for Figures
-
See supplementary material at http://dx.doi.org/10.1063/1.3637629 E-JCPSA6-135-039135 for detailed data for Figures.
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