Supporting Information Semiempirical Modeling of Ag Nanoclusters
Supporting Information
Semiempirical Modeling of Ag Nanoclusters: New Parameters for Optical Property Studies Enable Determination of Double Excitation Contributions to Plasmonic Excitation
Rebecca L. Gieseking, Mark A. Ratner, George C. Schatz
Department of Chemistry, Northwestern University 2145 Sheridan Road, Evanston, Illinois 60208, United States
S1
Figure S1. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -10 eV).
Figure S2. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -20 eV).
S2
Figure S3. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -30 eV).
Figure S4. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -40 eV).
S3
Figure S5. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -50 eV).
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Figure S6. Absorption spectra of cuboctahedral Ag clusters.
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Figure S7. Absorption spectra of icosahedral Ag clusters.
Figure S8. Absorption spectra of octahedral Ag clusters.
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Figure S9. Absorption spectra of tetrahedral Ag clusters.
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Figure S10. Contribution of double excitations to the excited states of Ag clusters. Red squares indicate the state or states with largest oscillator strengths for each cluster.
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Semiempirical Modeling of Ag Nanoclusters: New Parameters for Optical Property Studies Enable Determination of Double Excitation Contributions to Plasmonic Excitation
Rebecca L. Gieseking, Mark A. Ratner, George C. Schatz
Department of Chemistry, Northwestern University 2145 Sheridan Road, Evanston, Illinois 60208, United States
S1
Figure S1. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -10 eV).
Figure S2. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -20 eV).
S2
Figure S3. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -30 eV).
Figure S4. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -40 eV).
S3
Figure S5. Absorption spectra of Ag20 at the INDO/SCI level as a function of βsp (βd = -50 eV).
S4
Figure S6. Absorption spectra of cuboctahedral Ag clusters.
S5
Figure S7. Absorption spectra of icosahedral Ag clusters.
Figure S8. Absorption spectra of octahedral Ag clusters.
S6
Figure S9. Absorption spectra of tetrahedral Ag clusters.
S7
Figure S10. Contribution of double excitations to the excited states of Ag clusters. Red squares indicate the state or states with largest oscillator strengths for each cluster.
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