Simulating One-Photon Absorption and Resonance Raman Scattering Spectra Using Analytical Excited State Energy Gradients within Time-Dependent Density Functional Theory-Reference-Cited by-同舟云学术

Simulating One-Photon Absorption and Resonance Raman Scattering Spectra Using Analytical Excited State Energy Gradients within Time-Dependent Density Functional Theory

Published:2013-11-23 Issue:12 Volume:9 Page:5490-5503
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Silverstein Daniel W.¹,Govind Niranjan²,van Dam Hubertus J. J.²,Jensen Lasse¹

Affiliation:

1. Department of Chemistry, The Pennsylvania State University, 104 Chemistry Building, University Park, Pennsylvania 16802, United States

2. William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct4007772

Reference133 articles.

1. Theoretical Studies of Plasmonics using Electronic Structure Methods

2. Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

3. Nonlinear Optical Molecular Switches as Selective Cation Sensors

4. Silver Cluster Chromophores for Absorption Enhancement of Peptides

5. Chloride Anion Controlled Molecular “Switching”. Binding of 2,5,7-Trinitro-9-dicyanomethylenefluorene-C60 by Tetrathiafulvalene Calix[4]pyrrole and Photophysical Generation of Two Different Charge-Separated States

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