Study of molecular orbitals in momentum space |
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Authors: | L F Errea A Macías L Mndez A Riera B Pons I Sevila |
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Institution: | L. F. Errea,A. Macías,L. Méndez,A. Riera,B. Pons,I. Sevila |
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Abstract: | Molecular orbitals are presented in configuration and momentum representations. We propose to minimize large oscillations present in calculated momentum wavefunctions by cancelling position factor phases. We illustrate the distortion introduced by different electron translation factors and show continuum states and dynamical wavefunctions in momentum coordinates. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001 |
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Keywords: | momentum representation atomic collisions |
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