Calculating pure rotational transitions of water molecule with a simple Lanczos method |
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| Authors: | Pranab Sarkar |
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| Institution: | (1) Department of Chemistry, Visva-Bharati University, 731 235 Santiniketan, India |
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| Abstract: | We have calculated pure rotational transitions of water molecule from a kinetic energy operator (KEO) with the z-axis perpendicular to the molecular plane. We have used rotational basis functions which are linear combinations of symmetric
top functions so that all matrix elements are real. The calculated spectra agree well with the observed values. |
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| Keywords: | Pure rotational spectra Lanczos method H2O |
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