Compton profile and electron momentum distribution of water
- 15 November 1974
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 61 (10) , 4251-4257
- https://doi.org/10.1063/1.1681725
Abstract
The Compton profile and electron momentum distribution of water have been calculated using a number of self‐consistent‐field wavefunctions of various types, including a near Hartree‐Fock function. The results are found to be sensitive to the choice of basis functions. Comparison with recent experimental data shows good agreement, with the effects of improved wavefunction quality paralleling those of certain experimental corrections.Keywords
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