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Vibrationally resolved coupled-cluster x-ray absorption spectra from vibrational configuration interaction anharmonic calculations

机译：振动配置相互作用振动分辨耦合簇X射线吸收光谱Anharmonic计算

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Torsha Moitra; Diana Madsen; Ove Christiansen; Sonia Coriani;
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4. LEAST SQUARES FITS OF POTENTIALS BY USING ENERGY AND GRADIENT DATA : VIBRATIONAL ANHARMONIC SPECTRA FOR H_2CO FROM DFT CALCULATIONS [C] . P. CARBONNIERE, D. BEGUE, A. DARGELOS, International Conference of Computational Methods in Sciences and Engineering 2003 (ICCMSE 2003); Sep 12-16, 2003; Kastoria, Greece . 2003

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6. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: Vibrations and structure of its excited S1(ππ*) electronic state [O] . Hee Won Shin, Esther J. Ocola, Sunghwan Kim, -1

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Vibrationally resolved coupled-cluster x-ray absorption spectra from vibrational configuration interaction anharmonic calculations

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