Abstract
The knowledge of the electric dipole moment functions (EDMF’s) and the electronic transition moment functions (ETMF’s) allows the evaluation of the radiative transition probabilities for arbitrary transitions between the rotational — vibrational levels of one or two electronic states, provided the potential energy functions are known. Moreover, since dipole moments directly reflect the charge distribution in the molecule, the EDMF’s provide information about the character of the electronic wavefunctions and their change with the molecular geometry coordinates. Maxima or minima in the dipole moment or transition moment functions are often related to avoided crossings of electronic states with different polarities.
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References
H.-J.Werner and P.Rosmus, in: “Comparison of the ab initio calculations with experiments — state of the art” Ed.,R.Bartlett (Reidei, 1985).
P.R.Bunker, Chem. Phys. Letters 27, 322(1974).
R.Klein and P.Rosmus, Z.Naturforsch., 39a, 349(1984).
P.Rosmus and E.-A.Reinsch, Z.Naturforsch., 35a, 1066(1980).
P.Rosmus, Theoret. Chim. Acta, 51, 359(1979).
H.-J.Werner, P.Rosmus and E.-A.Reinsch, J. Chem. Phys. 79, 905(1983).
H.-J.Werner, P.Rosmus, W.Schätzl and W.Meyer, J. Chem. Phys. 80, 831(1984).
H.-J.Werner and P.Rosmus, J. Chem. Phys. 73, 2319(1980).
H.-J.Werner, Mol. Phys. 44, 111(1981).
C.Chackerian, Jr., R.Farrenq, G.Guelachvili, C.Rossetti and W. Urban Canad. J. Phys. 62, 1579(1984).
H.-J.Werner and P.Rosmus, J. Mol. Spectry. 96, 362(1982).
W.Meyer and P.Rosmus, J. Chem. Phys. 63, 2356(1975).
S.Langhoff,Ch.W.Bauschlicher,Jr. and H.Partridge, Chem. Phys. Letters 102, 292(1983).
H.-J.Werner, E.-A.Reinsch and P.Rosmus, Chem. Phys. Letters 78, 311(1981).
P.Rosmus, H.-J.Werner and M.Grimm, Chem. Phys. Letters 92, 250(1982).
P.Rosmus and H.-J.Werner, Mol. Phys. 47, 661(1982).
H.-J.Werner, P.Rosmus and M.Grimm, Chem.Phys. 73, 169(1982).
H.-J.Werner and W.Meyer, J. Chem. Phys. 74, 5802(1981).
R.Klein,P.Rosmus and H.-J.Werner, J. Chem. Phys. 77, 3559(1982).
A.D.McLean and M.Yoshimine, Inter. J. Quantum Chem. S1, 313(1967).
K.I.Peterson, G.T.Fraser and W.Klemperer, Canad.J.Phys. 62, 1502(1984).
E.W.Kaiser, J. Chem. Phys. 53, 1686(1970).
K.Cashion, J. Mol. Spectry. 10, 182(1963).
J.L. Dunham, Phys. Rev. 35, 1347(1930).
R.H.Tipping, J. Mol. Spectry. 61, 272(1976).
J. Overend, J. Chem. Phys. 64, 2878(1978).
W.B.Person and J.Overend, J. Chem. Phys. 66, 1442(1977).
R.N.Sileo and T.A.Cool, J. Chem. Phys. 65, 117(1976).
F.H.Mies, J. Mol. Spectry. 53, 150(1974).
W.Meyer, private communication.
P.J.Knowles and H.-J.Werner, Chem. Phys. Letters 115, 259(1985).
N.Grevesse, A.J.Sauval and E.F. van Dishoeck, Astron. Astrophys. 141, 10(1984).
D.L.Lambert, J.A.Brown, K.H.Hinkle and H.R.Johnson, Astrophys.J. 284, 233(1984).
J.A.Coxon and S.C.Foster, Cand. J. Phys. 60, 41(1982).
M.Larsson and P.E.M.Siegbahn, J. Chem. Phys. 79, 2270(1983).
P.Rosmus and H.-J.Werner, J. Chem. Phys. 80, 5085(1984).
L.Wolniewicz, J. Chem. Phys. 51, 5002(1969).
E.F. van Dishoeck and A.Dalgarno, J. Chem. Phys. 79, 873(1983).
H.-J.Werner, J.Kalcher and E.-A.Reinsch, J. Chem. Phys. 81, 2420(1984).
E.E.Eyler and F.M.Pipkin, J. Chem. Phys. 79, 3654(1983).
T.A.Carlson, N.Duric, P.Erman and M.Larsson, Phys. Scr. 19, 25(1979).
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© 1986 D. Reidel Publishing Company
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Rosmus, P., Werner, HJ. (1986). Electric Dipole and Electronic Transition Moment Functions in Molecular Spectroscopy. In: Jørgensen, P., Simons, J. (eds) Geometrical Derivatives of Energy Surfaces and Molecular Properties. NATO ASI Series, vol 166. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4584-5_21
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DOI: https://doi.org/10.1007/978-94-009-4584-5_21
Publisher Name: Springer, Dordrecht
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