Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT

Author:

Brabec Jiri1,Lin Lin12,Shao Meiyue1,Govind Niranjan3,Yang Chao1,Saad Yousef4,Ng Esmond G.1

Affiliation:

1. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

2. Department of Mathematics, University of California, Berkeley, California 94720, United States

3. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

4. Department of Computer Science and Engineering, University of Minnesota, Twin Cities, Minneapolis, Minnesota 55455, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Reference47 articles.

1. Density-Functional Theory for Time-Dependent Systems

2. Electronic excitations: density-functional versus many-body Green’s-function approaches

3. Casida, M. E.InRecent Advances in Density Functional Methods;Chong, D. E., Ed.World Scientific:Singapore, 1995; pp155–192.

4. Casida, M. E.InRecent Developments and Application of Modern Density Functional Theory;Seminario, J. M., Ed.Elsevier:Amsterdam, 1996; pp391–439.

5. Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories

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