Abstract
We describe in what follows a Time-Dependent Molecular Orbital (TDMO) theory recently developed with two main objectives:
-
to provide insight on electronically diabatic phenomena due to nuclear motions, and
-
to implement computational methods for many-electron, polyatomic systems.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
R. McCarroll, in “Atomic and Molecular Collision Theory,” F. A. Gianturco, Ed., Plenum Press, New York, 1980, Chap. 2.
M. Kimura and N. F. Lane, Adv. At. Molec. and Opt. Phys. 26:79 (1990).
W. Fritsch and C. D. Lin, Phys. Rep. 202:1 (1991).
P. A. M. Dirac, Proc. Cambridge Philos. Soc. 26:376 (1930);
R. W. McWeeney, J. Mol. Structure 93:1 (1983).
A. Dalgarno and G. A. Victor, Proc. Roy. Soc. London Ser. A291:292 (1966).
A. D. McLachlan and M. A. Ball, Rev. Mod. Phys. 36:844 (1963).
D. A. Micha, J. Chem. Phys. 78:7138 (1983).
J. M. Cohen and D. A. Micha, J. Chem. Phys., to appear (1992).
D. R. Bates and R. McCarroll, Proc. Roy. Soc. London Ser. A245:175 (1958).
J. B. Delos, Rev. Mod. Phys. 53:287 (1981).
A. Macias and A. Riera, Phys. Rep. 90:299 (1982).
D. A. Micha and B. Gazdy, Phys. Rev. A36:539 (1987).
B. Gazdy and D. A. Micha, Phys. Rev. A33:4446 (1986);
B. Gazdy and D. A. Micha, Intern. J. Quantum Chem. S20:689 (1986);
B. Gazdy and D. A. Micha, Phys. Rev. A36:546 (1987).
K. Runge, D. A. Micha and E. Q. Feng, Intern. J. Quantum Chem. S24: 781 (1990).
C. Böttcher, Phys. Rev. 48:85 (1982).
K. C. Kulander, K. R. Sandhya-Devi, and S. E. Koonin, Phys. Rev. A25:2968 (1982).
K. R. Sandhya-Devi, and J. D. Garcia, J. Phys. B16:2837 (1983).
D. Rapp and D. Dinwiddie, J. Chem. Phys. 57:4919 (1972).
W. Stich, H. J. Ludde, and R. M. Dreizler, Phys. Lett. 99A:5 (1983);
W. Stich, H. J. Ludde, and R. M. Dreizler, J. Phys. B18:1195 (1985).
J. W. Negele and H. Orland “Quantum Many-Particle Systems”, Addison-Wesley, Redwood City, California, (1988).
E. Deumens, A. Diz, H. Taylor and N. Y. Ohrn, J. Chem. Phys., to appear (1992).
E. Q. Feng, D. A. Micha and K. Runge, Intern. J. Quantum Chem. 50:545 (1991).
A. Szabo and N. S. Ostlund “Modern Quantum Chemistry”McMillan Publ. Co., New York (1982), Chap. 3.
R. N. Zare, “Angular Momentum” J. Wiley, New York (1988), Chap. 5.
W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling “Numerical Recipes”, Cambridge Univ. Press, Cambridge, England (1986), Chap. 15.
K. Runge and D. A. Micha, work to be published.
VMOL is a local version of MOLECULE, a vectorized Gaussian integral computer program, authored by J. Almlof and P. R. Taylor.
L. Wilets and D. F. Gallaher, Phys. Rev. 147: 147 (1966);
D. F. Gallaher and L. Wilets, Phys. Rev. 169: 139 (1968).
M. W. Gealy and B. Van Zyl, Phys. Rev. A36:3091 (1987).
J. H. Newman, J. D. Cogan, D. L. Ziegler, D. E. Nitz, R. D. Lunden, K. A. Smith, and R. F. Stebbings, Phys. Rev. A25:2976 (1982).
J. C. Houver, J. Fayeton, M. Abignola, M. Barat, Phys. Rev. Lett. 28:1433 (1972).
C. Gaussorgues, C. Le Sech, F Masnou-Seeuws, R McCarroll, and A. Riera, J. Phys. B8: 253 (1975).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1992 Springer Science+Business Media New York
About this chapter
Cite this chapter
Micha, D.A., Runge, K. (1992). Electronic Energy and Charge Transfer in Slow Atomic Collisions: A Time-Dependent Molecular Orbital Approach. In: Broeckhove, J., Lathouwers, L. (eds) Time-Dependent Quantum Molecular Dynamics. Nato ASI Series, vol 299. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-2326-4_19
Download citation
DOI: https://doi.org/10.1007/978-1-4899-2326-4_19
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4899-2328-8
Online ISBN: 978-1-4899-2326-4
eBook Packages: Springer Book Archive