Abstract
Some fundamental concepts underlying the calculation of rotational constants of interstellar molecules are discussed. The case of the X-ogen line and the MgNC molecule are taken up as illustrative examples. These constitute relevant findings because they show the importance of resorting to sophisticated techniques as a means for the identification of interstellar lines.
This is a preview of subscription content, log in via an institution.
Buying options
Tax calculation will be finalised at checkout
Purchases are for personal use only
Learn about institutional subscriptionsPreview
Unable to display preview. Download preview PDF.
References
1992, Gaussian 92, Programmer’s Reference and User’s Guide,(Gaussian, Inc. Pittsburgh, 1992); e-mail: info@gaussian.com.
Barsuhn, J., 1972, Astrophysical Letters, 12, 169.
Bauschlicher, C.W., Jr., Langhoff, S.R., & Partridge, H., 1985, Chem. Phys. Lett., 115, 124.
Becke, A.D., 1988, Phys. Rev., A 38, 3098.
Born, M. &, Oppenheimer, J.R., 1927, Ann. Physik, 84, 457
See also Born, M. & Huang, K., Dynamical Theory of Crystal Lattices” Oxford University Press, New York, 1954.
Buhl, D., and Snyder, L.E., 1970, Nature, 228, 267.
Carter, S., Mills, I.M., & Handy, N.C., 1992, J. Chem. Phys., 97, 1606.
Colle, R., & Salvetti, O., 1983, J. Chem. Phys., 79(3), 1404.
Essen, H., 1977, Int. J. Quantum Chem., XII, 721.
Fan, K., & Iwata, S., 1992, Chem. Phys. Lett., 195, 475.
Foresman, J.B., & Frisch, A.E., 1993, Exploring Chemistry with Electronic Structure Methods, (Gaussian, Inc. Pittsburgh).
Frank-Kamenetskii, M.D., & Lukashin, A.V., 1976, Sov. Phys. Usp., 18, 391.
Goscinski, O., & Palma, A., 1979, Int. J. Quantum Chem., XV, 197.
Guélin, M., Cernicharo, J., Kahane, C, & Gómez-González, J, 1986, A&A 157, L17
Herbst, E., & Klemperer, W., 1974, Ap. J., 188, 255.
Ishii, K., Hirano, T., Nagashima, V., Weis, B., & Yamashita, K., 1993, Ap. J., 410, and references therein.
Ishii, K., Hirano, T., Nagashima, V., Weis, B., & Yamashita, K., 1993, Ap. J., L43, and references therein.
Ishii, K., Hirano, T., Nagashima, U., Weis, B., & Yamashita, K., 1994, J. Mol. Structure (Teochem), 305, 117.
Kagi, E., Kawaguchi, K., Takano, S., & Hirano, T., 1996, J. Chem. Phys., 104, 1263.
Kawaguchi, K., Kagi, E., Hirano, T., Takano, S., & Saito, S., 1993, Ap. J., 406, L39.
Kieninger, M., Irving, K., Rivas-Silva, F., Palma, A.,& Ventura, O., 1996, J. Mol. Struct. (THEOCHEM), in press.
Klemperer, W., 1970, Nature, 227, 1230.
Kraemer, W.P., & Diercksen G.H.F., 1976, Ap. J., 205, L97.
Largo-Cabrerizo, A., 1988, Chem. Phys. Lett., 147, 95.
Largo-Cabrerizo, A., & Barrientos, C., 1989, Chem. Phys. Lett., 155, 550.
Largo-Cabrerizo, A., & Flores, J.R., 1988, Chem. Phys. Lett., 147, 90.
Lee, C, Yang, W., & Parr, R.G., 1988, Phys. Rev., B 37, 785.
Levine, I.N., 1991, Quantum Chemistry, 4th edition (Prentice-Hall).
Lovas, F.J., 1974, Ap. J., 193, 265.
Löwdin, P.O., 1955, Phys. Rev., 97, 1474.
Martin, J.M.L., Taylor, P.R., & Lee, T.J., 1993, J. Chem. Phys., 99, 286.
Palma, A., Aquino, N., & Sandoval L., unpublished.
Parr, G.R., & Yang, W., 1989, Density-Functional Theory of Atoms and Molecules, (Oxford).
Pilar, F.R., 1990, Elementary Quantum Chemistry, 2nd edition (McGraw-Hill).
Roothaan, C.C.J., 1951, Rev. Mod. Phys. 23, 69.
Snyder, L.E., & Buhl, D., 1971, Bull. A. A. S., 3, 251.
Snyder, L.E., Hollis, JM, Ulich, BL, Lovas, FJ, & Buhl, D, 1975, Bull. AAS 7, 497
Szabo A, & Ostlund, NS, 1989, Modern Quantum Chemistry, 1st ed. (Prentice-Hall)
Vosko, S.H., Wilk, L., & Nusair, M., 1980, Can. J. Phys., 58, 1200.
See for example, Jones W. and March N. H., Theoretical Solid State Physics, Vol. 1 (Dover, 1973), p. 162.
Wahlgren, U., Liu, B., Pearson, PK, & Schaefer, HF, 1973, Nat. Phys. Sci., 246, 4
Woods, R.C., Dixon, T.A., Saykally, R.J., & Szanto, P.G., 1975, Phys. Rev. Letters, 35, 1269.
Woolley, R.G., 1978, J. Amer. Chem., 100, 1073.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1999 Springer Science+Business Media Dordrecht
About this paper
Cite this paper
Palma, A., Rivas-Silva, J.F., Flores-Riveros, A. (1999). On the Calculation of Rotational Constants of Interstellar Molecules. In: Wall, W.F., Carramiñana, A., Carrasco, L., Goldsmith, P.F. (eds) Millimeter-Wave Astronomy: Molecular Chemistry & Physics in Space. Astrophysics and Space Science Library, vol 241. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-4714-9_24
Download citation
DOI: https://doi.org/10.1007/978-94-011-4714-9_24
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-010-5983-1
Online ISBN: 978-94-011-4714-9
eBook Packages: Springer Book Archive