We present numerically exact solutions of the time-independent Schrödinger equation for the following system: two particles of the same charge, repelled by the Coulomb force, confined to a one-dimensional infinite well. The eigenfunctions are expanded in a basis set of product delta functions; the expansion allows the removal of the Coulomb potential’s singularity. We report and discuss our findings regarding correlated behavior in the lowest energy states of a well of length 3 bohr (1 bohr=1 Bohr radius≈0.52 Å).
REFERENCES
1.
M.
de Llano
, “A Soluble Self-consistent Nuclear Model
,” Am. J. Phys.
41
, 484
–489
(1973
).2.
J. S.
Bolemon
and D. J.
Etzold
, Jr., “Enriching Elementary Quantum Mechanics with the Computer: Self-consistent Field Problems in One-dimension
,” Am. J. Phys.
42
, 33
–42
(1974
).3.
I. R.
Lapidus
, “One-dimensional models for two-electron systems
,” Am. J. Phys.
43
, 790
–792
(1975
).4.
Y.
Nogami
, M.
Vallières
, and W.
van Dijk
, “Hartree–Fock approximation for the one-dimensional ‘helium atom,’
” Am. J. Phys.
44
, 886
–888
(1976
).5.
L. L.
Foldy
, “An interesting exactly soluble one-dimensional Hartree problem
,” Am. J. Phys.
44
, 1192
–1196
(1976
).6.
H. A.
Gersch
, “An exactly soluble one-dimensional, two-particle problem
,” Am. J. Phys.
52
, 227
–230
(1984
).7.
A.
Redondo
, “A class of exactly soluble many-body Hamiltonians
,” Am. J. Phys.
54
, 643
–646
(1986
).8.
J. R.
Mohallem
and L. M.
Oliveira
, “Correlated wave function of two particles in an infinite well with a delta repulsion
,” Am. J. Phys.
58
, 590
–592
(1990
).9.
H. L.
Neal
, “Density functional theory of one-dimensional two-particle systems
,” Am. J. Phys.
66
, 512
–516
(1998
).10.
J.
Yang
and V.
Zelevinsky
, “Short-range repulsion and symmetry of two-body wave functions
,” Am. J. Phys.
66
, 247
–251
(1998
).11.
See I. N. Levine, Quantum Chemistry (Allyn and Bacon, Boston, MA, 1974), 2nd ed., pp. 193–194 and 207–210 for a synopsis.
12.
See G. Arfken, Mathematical Methods for Physicists (Academic, Orlando, FL, 1985), 3rd ed., pp. 481–484, 528–529, and 799–800 for properties of delta functions.
13.
A. Szabo and N. S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Macmillan, New York, 1982), pp. 24–37.
14.
Because of the finite-difference approximation of the kinetic energy operators, the variational principle which usually applies to Eq. (5) is not in force.
15.
Per-Olov
Löwdin
, “Studies in Perturbation Theory. VII. Localized Perturbation
,” J. Mol. Spectrosc.
14
, 119
–130
(1964
).16.
R. Eisberg and R. Resnick, Quantum Physics of Atoms, Molecules, Solids, Nuclei, and Particles (Wiley, New York, 1974), pp. 327–346.
17.
The degeneracy is easily proved given for It follows that for every S eigenfunction, an A eigenfunction can be constructed with the same eigenvalue, and vice versa.
18.
J. Stoer and R. Bulirsch, Introduction to Numerical Analysis (Springer-Verlag, New York, 1980), pp. 354–356.
19.
M. R.
Hestenes
and E.
Stiefel
, “Methods of conjugate gradients for solving linear systems
,” Natl. Bur. Stand. J. Res.
49
, 409
–436
(1952
).20.
M. J. Frisch, M. Head-Gordon, J. B. Foresman, G. W. Trucks, K. Raghavachari, H. B. Schlegel, M. Robb, J. S. Binkley, C. Gonzalez, D. J. Defrees, D. J. Fox, R. A. Whiteside, R. Seeger, C. F. Melius, J. Baker, L. R. Kahn, J. J. P. Stewart, E. M. Fluder, S. Topiol, and J. A. Pople, GAUSSIAN 90, Gaussian, Inc., Pittsburgh, PA 15213, 1990.
21.
See Ref. 13, pp. 45–47.
22.
R. C.
Dunbar
, “The Influence of Electrons on Each Other in a Molecule: Correlation of Electron Motions in
” J. Chem. Edu.
66
, 463
–466
(1989
).23.
Lowest eigenvalues for and bohr: and with exact values of last digits shown in parentheses. Full diagonalization of a 300×300 matrix by a general routine should take less than 10 min on a small computer.
This content is only available via PDF.
© 2001 American Association of Physics Teachers.
2001
American Association of Physics Teachers
AAPT members receive access to the American Journal of Physics and The Physics Teacher as a member benefit. To learn more about this member benefit and becoming an AAPT member, visit the Joining AAPT page.