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- W2805081167 abstract "Theoretical analysis of optical absorption in the vacuum ultra-violet (VUV) region by single molecules placed in external electrostatic fields reveals characteristic absorption spectra completely at variance with their ‘zero-field’ counterparts consequent to appearance, disappearance, splitting, merging and shifts of absorption bands and extensive intensity redistributions. This ‘molecular electronic Stark effect’ can be tracked through electronic excitations involving frontier orbitals, energy-level splitting and shifts, molecular geometry changes and re-orientation, orbital mutation and migration. The UV spectra predicted herein should provide theoretical grounds for experimental endeavors on appraisal and characterization of the effect." @default.
- W2805081167 created "2018-06-13" @default.
- W2805081167 creator A5050419482 @default.
- W2805081167 creator A5063435799 @default.
- W2805081167 creator A5089336261 @default.
- W2805081167 date "2018-08-01" @default.
- W2805081167 modified "2023-10-01" @default.
- W2805081167 title "Electronic Stark effect for a single molecule: Theoretical UV response" @default.
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- W2805081167 doi "https://doi.org/10.1016/j.comptc.2018.05.018" @default.