Dimensional scaling and renormalization
Corresponding Author
Dudley R. Herschbach
Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138
Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138Search for more papers by this authorCorresponding Author
Dudley R. Herschbach
Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138
Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138Search for more papers by this authorAbstract
Chief features of dimensional scaling methods are exemplified by briefly reviewing prototypical applications and recent developments. The pseudoclassical large-D limit usually can be evaluated exactly regardless of the magnitude, nature, and number of strong, nonseparable dynamical interactions. Often, this limit can be accurately linked to D = 3 by perturbation or interpolation methods. This is because the dimension dependence of many-body effects tends to be smooth and mild when calibrated by appropriate one- or few-body problems. A simple renormalization procedure applied to atoms with up N ∼ 100 electrons yields a major part of the correlation energy. From Hartree-Fock input, a renormalized nuclear charge is determined which renders the dimensionally scaled energy at D → ∞ a good approximation to that for D = 3 with the actual Z. Prospects are discussed for other means to exploit dimensional scaling, including an analogous renormalization procedure for molecules. © 1996 John Wiley & Sons, Inc.
References
- 1 L. G. Yaffee, Rev. Mod. Phys. 54, 407 (1982).
- 2
D. R. Herschbach,
J. Avery, and
O. Goscinski, Eds.,
Dimensional Scaling in Chemical Physics
(Kluwer, Dordrecht,
1993).
10.1007/978-94-011-1836-1 Google Scholar
- 3 J. Rudnick and G. Gaspari, Science 237, 384 (1987).
- 4 J. G. Loeser, Z. Zheng, S. Kais, and D. R. Herschbach, J. Chem. Phys. 95, 4525 (1991).
- 5 J. G. Loeser and D. R. Herschbach, J. Chem. Phys. 86, 3512 (1987).
- 6 D. Z. Goodson and D. R. Herschbach, J. Chem. Phys. 86, 4997 (1987).
- 7 S. Kais, J. D. Morgan III, and D. R. Herschbach, J. Chem. Phys. 95, 9028 (1991); S. Kais, D. D. Frantz, and D. R. Herschbach, Chem. Phys. 161, 393 (1992).
- 8 A. A. Belov and Yu. E. Lozovik, Sov. Phys. JETP 67, 2413 (1988). First-order 1 / D, bound states for cluster of N identical particles.
- 9 A. A. Belov and Yu. E. Lozovik, Theor. Math. Phys. 81, 1294 (1989). First-order 1 / D for 3-and 4-particle clusters, dynamical symmetry.
- 10 A. Holas, P. M. Kozlowski, and N. H. March, J. Phys. A 24, 4249 (1991). Generalize kinetic energy density to D-dimensions.
- 11 J. M. Rost, S. M. Sung, D. R. Herschbach, and J. S. Briggs, Phys. Rev. A 46, 2410 (1992). Inter-D degeneracies, two-electron doubly excited states.
- 12 D. Z. Goodson and D. R. Herschbach, Phys. Rev. A 46, 5428 (1992). Approximate 1/D summation methods.
- 13 D. Z. Goodson, M. López-Cabrera, D. R. Herschbach, and J. D. Morgan III, J. Chem. Phys. 97, 8481 (1992). High-order 1/D perturbation expansions for two-electron atoms.
- 14 Y. Y. Goldschmidt, Nucl. Phys. B. 393, 507 (1993). Path integral form for large-D limit, N-body problem.
- 15 A. Gonzalez and D. Leal, J. Phys. B 26, 1253 (1993). First-order 1/D for binding energies of rare gas clusters.
- 16 S. Kais and G. Beltrame, J. Phys. Chem. 97, 2453 (1993). D-scaling for Regge trajectories.
- 17 M. Dunn and D. K. Watson, J. Phys. Chem. 97, 2457 (1993). Wrong parity states of doubly excited two-electron atoms.
- 18 J. M. Rost, J. Phys. Chem. 97, 2461 (1993). Complex D-scaling.
- 19 C. A. Traynor and D. Z. Goodson, J. Phys. Chem. 97, 2464 (1993). D-scaling without Born-Oppenheimer approximation.
- 20 M. López-Cabrera, A. L. Tan, and J. G. Loeser, J. Phys. Chem. 97, 2467 (1993). D-scaling and interpolation.
- 21 S. M. Sung and J. M. Rost, J. Phys. Chem. 97, 2479 (1993). Chemical binding in large-D limit.
- 22 S. Kais and D. R. Herschbach, J. Chem. Phys. 98, 3990 (1993). D-scaling for quasi-stationary states.
- 23
V. I. Popov and
A. V. Sergeev,
Phys. Lett. A
172, 193
(1993).
Analytic results for 1/D expansion for H
.
- 24 S. Kais, D. R. Herschbach, N. C. Handy, C. W. Murray, and G. J. Laming, J. Chem. Phys. 99, 417 (1993). Density functionals and D-renormalization for exactly solvable Hooke's law atom.
- 25 D. Z. Goodson and D. K. Watson, Phys. Rev. A 48, 2668 (1993). High-order 1/D expansions for excited two-electron atoms.
- 26 S. Kais, S. M. Sung, and D. R. Herschbach, J. Chem. Phys 99, 5194 (1993). D-renormalization for many-electron atoms.
- 27 T. C. Germann and S. Kais, J. Chem. Phys. 99, 7739 (1993). High-order 1/D expansions for complex eigenvalues.
- 28 D. R. Herschbach, Proc. Am. Philos. Soc. 137, 532 (1993). Review including D-interpolation of virial coefficients.
- 29 S. M. Valone, Int. J. Quantum Chem. 49, 591 (1994). D-scaling for constrained search energy density functionals.
- 30 S. Kais, S. M. Sung, and D. R. Herschbach, Int. J. Quantum Chem. 49, 657 (1994). D-renormalization for large-Z and large-N atoms.
- 31 S. Kais and D. R. Herschbach, J. Chem. Phys. 100, 4367 (1994). D-renormalization and 1/Z expansionfor many-electron atoms.
- 32 J. G. Loeser, J. H. Summerfield, A. L. Tan, and Z. Zheng, J. Chem. Phys. 100, 5036 (1994). Correlated models suggested by large-D limit.
- 33 A. A. Belov, Y. E. Lozovik, and V. A. Mandelshtam, Sov. Phys. JETP 98, 25 (1990).
- 34 T. C. Germann, D. R. Herschbach, M. Dunn, and D. K. Watson, Phys. Rev. Lett. 74, 658 (1995). D-scale for H atom in magnetic field.
- 35 M. Dunn, T. C. Germann, D. Z. Goodson, C. A. Traynor, J. D. Morgan III, D. K. Watson, and D. R. Herschbach, J. Chem. Phys. 101, 5987 (1994). Matrix method for 1/D perturbation expansions.
- 36
T. C. Germann,
D. R. Herschbach, and
B. M. Boghosian,
Comput. Phys.
8, 712
(1994).
Parallel computation for 1/D expansions.
10.1063/1.168488 Google Scholar
- 37 S. Kais, T. C. Germann, and D. R. Herschbach, J. Phys. Chem. 98, 11015 (1994). Corresponding states for D = 3 and large-D potential curves of two-electron molecules.
- 38
J. Avery,
in Structure and Dynamics of Atoms and Molecules: Conceptual Trends,
J. L. Calais and
E. S. Kryacho, Eds.
(Kluwer, Dordrecht, Netherlands,
1995,
p. 133).
Review, large-D limit for 3-particle systems.
10.1007/978-94-011-0263-6_5 Google Scholar
- 39 D. D. Frantz and D. R. Herschbach, J. Chem. Phys. 92, 6668 (1990).
- 40 W. H. Miller, J. Chem. Phys. 58, 1664 (1973).
- 41 M. P. Strand and W. P. Reinhardt, J. Chem. Phys. 70, 3812 (1979).
- 42 J. Avery, D. Z. Goodson, and D. R. Herschbach, Theor. Chem. Acta 81, 1 (1991).
- 43 D. J. Doren and D. R. Herschbach, J. Chem. Phys. 87, 433 (1987).
- 44 J. G. Loeser, J. Chem. Phys. 86, 5635 (1987).
- 45 M. López-Cabrera, D. Z. Goodson, D. R. Herschbach, and J. D. Morgan III, Phys. Rev. Lett. 68, 1992 (1992).
- 46 S. J. Chakravorty, S. R. Gwaltney, E. R. Davidson, F. A. Parpia, and C. F. Fischer, Phys. Rev. A 47, 3649 (1993).
- 47 D. Z. Goodson, J. D. Morgan III, and D. R. Herschbach, Phys. Rev. A 43, 4617 (1991).
- 48 S. Kais, D. R. Herschbach, and R. D. Levine, J. Chem. Phys. 91, 7791 (1989).
- 49 M. Levy and J. P. Perdew, Int. J. Quantum Chem. 49, 539 (1994).
- 50 M. Karplus, J. Phys. Chem. 94, 5435 (1990).