Franck-Condon factors to high vibrational quantum numbers III: CN
نویسندگان
چکیده
منابع مشابه
Asymmetric Franck-Condon factors in suspended carbon nanotube quantum dots
Fabio Cavaliere,1 Eros Mariani,2,3 Renaud Leturcq,4,5 Christoph Stampfer,4,6 and Maura Sassetti1 1CNR-SPIN and Dipartimento di Fisica, Università di Genova, Via Dodecaneso 33, 16146 Genova, Italy 2Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany 3School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, United Kingdom 4Laboratory for ...
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Franck-Condon (FC) integrals of polyatomic molecules are computed on the basis of vibrational self-consistent-field (VSCF) or configuration-interaction (VCI) calculations capable of including vibrational anharmonicity to any desired extent (within certain molecular size limits). The anharmonic vibrational wave functions of the initial and final states are expanded unambiguously by harmonic osci...
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The calculation of Franck-Condon factors between different one-dimensional Morse potential eigenstates using a formula derived from the Wigner function is discussed. Our numerical calculations using a very simple program written in Mathematica is compared with other calculations. We show that our results have a similar accuracy as the calculations performed with more sophisticated methods. We d...
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Departamento de Qúımica, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid, Spain Department of Physics and Astronomy, University of Turku 20014 Turku, Finland Institute for Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan Dipartimento di Scienze Chimiche, Università di Trieste, 34127 Trieste, and CNR-IOM, Trieste, Italy ‡ Instituto Madrileño de...
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An efficient new procedure for calculating Franck-Condon factors, based on the direct solution of an appropriate set of simultaneous equations, is presented. Both Duschinsky rotations and anharmonicity are included, the latter by means of second-order perturbation theory. The critical truncation of basis set is accomplished by a build-up procedure that simultaneously removes negligible vibratio...
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ژورنال
عنوان ژورنال: Journal of Research of the National Bureau of Standards Section A: Physics and Chemistry
سال: 1964
ISSN: 0022-4332
DOI: 10.6028/jres.068a.005