An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.477483
Reference20 articles.
1. Dynamic polarizabilities and excitation spectra from a molecular implementation of time‐dependent density‐functional response theory: N2as a case study
2. Excitation Energies from Time-Dependent Density-Functional Theory
3. Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
4. Density‐functional thermochemistry. III. The role of exact exchange
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