Exactly solvable double-well potential in Schrödinger equation for inversion mode of phosphine molecule
نویسندگان
چکیده
The reduced mass of the effective quantum particle for inversion mode ν2 phosphine molecule PH3 is known to be a position dependent one. In present article spectrum considered with help Schrödinger equation (SE) and corresponding modified double-well potential. SE shown exactly solvable. results are used analysis pertinent experimental data available in literature. We based on reliable value ν2=E2-E0=992.1cm-1 (2ν2=E4-E0=1972.5cm-1; 3ν2=E6-E0=2940.8cm-1; 4ν2=E8-E0=3895.9cm-1) obtained by Špirko et al. Also we use barrier height Eb=12300cm-1 that seems commonly accepted at hypothetical energy splitting 11-th doublet 10ν2 band s10=E21-E20≈7.2cm-1 suggested Definite predictions derived 4-th 3ν2 s3=E7-E6 test one observation experiment Okuda provides self-consistently required values {ν2;Eb;s10} yielding s3=6.21·10-12cm-1.
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ژورنال
عنوان ژورنال: Computational and Theoretical Chemistry
سال: 2021
ISSN: ['2210-2728', '2210-271X']
DOI: https://doi.org/10.1016/j.comptc.2021.113220