Improved lower and upper bounds for dipole transition moments

D. V.I. Roginsky; C. Laughlin; M. Cohen

doi:10.1088/0022-3700/19/8/008

Improved lower and upper bounds for dipole transition moments

D. V.I. Roginsky^*, C. Laughlin, M. Cohen

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

The effective-bounds formulae for dipole transition moments introduced by Anderson and Weinhold (1974) have been strengthened significantly without altering the approximate wavefunctions by two procedures, each of which modifies the transition operator. Results of simple calculations on the hydrogen atom suggest that highly accurate moments may be obtained from wavefunctions of only modest accuracy.

Original language	English
Article number	008
Pages (from-to)	1115-1123
Number of pages	9
Journal	Journal of Physics B: Atomic and Molecular Physics
Volume	19
Issue number	8
DOIs	https://doi.org/10.1088/0022-3700/19/8/008
State	Published - 1986

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title = "Improved lower and upper bounds for dipole transition moments",

abstract = "The effective-bounds formulae for dipole transition moments introduced by Anderson and Weinhold (1974) have been strengthened significantly without altering the approximate wavefunctions by two procedures, each of which modifies the transition operator. Results of simple calculations on the hydrogen atom suggest that highly accurate moments may be obtained from wavefunctions of only modest accuracy.",

author = "Roginsky, {D. V.I.} and C. Laughlin and M. Cohen",

year = "1986",

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AU - Roginsky, D. V.I.

AU - Laughlin, C.

AU - Cohen, M.

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AB - The effective-bounds formulae for dipole transition moments introduced by Anderson and Weinhold (1974) have been strengthened significantly without altering the approximate wavefunctions by two procedures, each of which modifies the transition operator. Results of simple calculations on the hydrogen atom suggest that highly accurate moments may be obtained from wavefunctions of only modest accuracy.

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JO - Journal of Physics B: Atomic and Molecular Physics

JF - Journal of Physics B: Atomic and Molecular Physics

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Improved lower and upper bounds for dipole transition moments

Abstract

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