Abstract
A finite element approach is described to solve the time- dependent Hartree-Fock equation of atoms in the presence of time-dependent electromagnetic fields. Time-dependent energy changes, ionization rates and high order nonlinear optical polarizabilities, χ2n+1 (n >, 0) for the atoms H and He have been calculated. The finite element method is shown to be easily adaptable to treat intense short pulses and includes automatically both bound and continuum electronic states.
Similar content being viewed by others
References
A.D. Bandrauk (ed.),Atomic and Molecular Processes with Short Intense Laser Pulses, NATO ASI, Vol. B171 (Plenum Press, New York, 1988).
A.D. Bandrauk and S.C. Wallace (eds.),Coherence Phenomena in Atoms and Molecules in Laser Fields, NATO ASI, Vol. B278 (Plenum Press, New York, 1992).
P.H. Buchsbaum, A. Zavriyev, H.G. Muller and D.W. Schumacher, Phys. Rev. Lett. 64 (1990) 1883.
A.D. Bandrauk and M.L. Sink, Chem. Phys. Lett. 57 (1978) 569; J. Chem. Phys. 74 (1981) 1110.
E. Aubanel, A.D. Bandrauk and P. Rancourt, Chem. Phys. Lett.197 (1992) 419.
K.C. Kulander, Phys. Rev. A36 (1987) 2726.
J.L. Krause, K.J. Schafer and K.C. Kulander, Chem. Phys. Lett.178 (1991) 573.
B.A. Finlayson,Method of Weighted Residues (Academic Press, New York, 1974).
O.C. Zinkiewicz and K. Morgan,Finite Elements and Approximation (Wiley, New York, 1983).
D. Sundholm, J. Olsen and S.A. Alexander, J. Chem. Phys. 96 (1992) 5229.
D. Heinemann, A. Rosen and B. Fricke, Chem. Phys. Lett.166 (1990) 627.
D. Heinemann, B. Fricke and D. Kolb, J. Chem. Phys. 38 (1988) 4994.
T. Inoshita, Phys. Rev. B41 (1990) 180.
H. Murakami, V. Sonnad and E. Clementi, Int. J. Quant. Chem. 42 (1992) 785.
G. Hammerlin and K.H. Hoffmann,Numerical Methods (Springer, New York, 1991).
H. Yu, A.D. Bandrauk and V. Sonnad, in ref. [2], p. 31.
A.D. Becke, J. Chem. Phys. 76 (1982) 6037.
A.D. Becke and R.M. Dickson, J. Chem. Phys. 92 (1990) 3610.
J.C. Slater,Quantum Theory of Atomic Structure, Vol. l (McGraw-Hill, New York, 1960).
J.R. Flores, E. Clementi and V. Sonnad, J. Chem. Phys. 91 (1989) 7030.
N.C. Manakov, M.A. Preobrazhenskii and L.P. Rapoport, Opt. Spectr. 35 (1973) 14.
C.A. Nicolaides, T. Mercouris and G. Aspromallis, J. Opt. Soc. Am. B7 (1990) 494.
Y. Justum, A. Maquet and Y. Heno, Phys. Rev. A41 (1990) 2791.
L.L. Boyle, A.D. Buckingham, R.L. Disch and D.A. Dunmur, J. Chem. Phys. 45 (1966) 1318.
P. Sitz and R. Yaris, J. Chem. Phys. 48 (1968) 3546.
P.R. Taylor, T.J. Lee, J.E. Rice and J. Almlof, Chem. Phys. Lett. 163 (1989) 359.
M. Jaszunski and D.L. Yeager, Phys. Rev. A40 (1989)1651.
J.E. Rice, P.R. Taylor, T.J. Lee and J. Almlof, J. Chem. Phys. 94 (1991) 4972.
R.B. Miller and S.E. Harris, IEEE J. Quant. Electr. QE-9 (1973) 470.
D.M. Bishop, J. Pipin and J.N. Silverman, Mol. Phys. 59 (1986) 165.
D.M. Bishop, Rev. Mod. Phys. 62 (1990) 343.
Y.R. Shen,The Principles of Nonlinear Optics (Wiley, New York, 1984).
W.H. Press, B.P. Flannery, S.A. Teukolsky and W.F. Vetterling,Numerical Recipes (Cambridge Univ. Press, New York, 1986).
N.L. Manakov, V.D. Ovsynnikovand L.P. Cliffs, Sov. Phys. JETP 43 (1976) 885.
A.G. Fainshtein, N.L. Manakov, V.D. Ovsiannikov and L.P. Rapoport, Phys. Rep. 210 (1992) 111.
J. Reintjes and C.Y. She, Int. J. Quant. Chem. 14 (1978) 581.
A.J. Thakkar, J. Chem. Phys. 75 (1981) 4496.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Yu, H., Bandrauk, A. & Sonnad, V. Application of the finite element method to time-dependent quantum mechanics: I. H and He in a laser field. J Math Chem 15, 273–286 (1994). https://doi.org/10.1007/BF01277565
Received:
Revised:
Issue Date:
DOI: https://doi.org/10.1007/BF01277565