Triplet yield determination for some substituted benzenes: A discussion of the biacetyl method
Quantum yields of fluorescence and of triplet molecule formation have been determined for the xylenes and the ethyltoluenes. Both yields generally decrease with increase in energy of the incident phot...
Quantum yields of fluorescence and of triplet molecule formation have been determined for the xylenes and the ethyltoluenes. Both yields generally decrease with increase in energy of the incident phot...
The charge transfer in some alkaline salts of tetracyanoquinodimethane (TCNQ): A Zeeman perturbation study of the 14N nuclear quadrupole resonance spectrum of polycrystalline Rb–TCNQ
Two 14N nuclear quadrupole resonance absorption lines (2904.4 and 2967.7 kHz) detected in Rb–tetracyanoquinodimethane (TCNQ) at room temperature were studied by the Zeeman perturbation effect an...
Two 14N nuclear quadrupole resonance absorption lines (2904.4 and 2967.7 kHz) detected in Rb–tetracyanoquinodimethane (TCNQ) at room temperature were studied by the Zeeman perturbation effect an...
Self-consistent field energies and wavefunctions for coupled oscillators
J. Chem. Phys. 68, 608 (1978); doi:10.1063/1.435782
Issue Date: 15 January 1978
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We formulate a self-consistent field description of coupled anharmonic oscillators. The SCF equations are solved numerically for a model problem of two coupled anharmonic oscillators and energy eigenvalues compared with previously published exact quantum and semiclassical ones.
The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
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REFERENCES (7)
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- For a forthcoming review see, G. D. Carney, L. L. Sprandel, and C. W. Kern, “Variational Approaches to Vibration-Rotation Spectroscopy for Polyatomic Molecules” [to be published in Adv. Chem. Phys. 36 (1977)].
- (a) W. Eastes and R. A. Marcus, J. Chem. Phys. 61, 4301 (1974) and reference cited therein;
- See, for example, B. R. Henry,
Acc. Chem. Res. 10, 207 (1977) . - L. L. Sprandel, Diss. Abstr. Int. B 36, 5577 (1975), I thank Professor Karl Freed for helping me track down this unpublished reference and Ref. 1.
- C. C. J. Roothaan,
Rev. Mod. Phys. 23, 69 (1951) . - S. Nordholm and S. A. Rice, J. Chem. Phys. 61, 203 (1974) and references cited therein.
- See, for example, D. G. Truhlar,
J. Comput. Phys. 10, 123 (1972) .
(c) S. Chapman, B. C. Garrett, and W. H. Miller, J. Chem. Phys. 64, 502 (1976);
(d) K. S. Sorbie and N. C. Handy,
(e) J. B. Delos and R. T. Swimm,
