Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional-Reference-Cited by-同舟云学术

Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional

Published:2014-07-23 Issue:9 Volume:10 Page:3980-3986
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ziegler Tom¹,Krykunov Mykhaylo¹,Autschbach Jochen²

Affiliation:

1. Department of Chemistry, University of Calgary, University Drive 2500, Calgary Alberta T2N1N4, Canada

2. Department of Chemistry, State University of New York. 312 Natural Sciences Complex. Buffalo, New York 14260-3000, United States

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500385a

Reference51 articles.

1. Molecular Electronic-Structure Theory

2. Density-Functional Theory for Time-Dependent Systems

3. Casida, M. E.InRecent Advances in Density Functional Methods;Chong, D. P., Ed.World Scientific:Singapore, 1995; pp155–193.

4. A density functional theory study of frequency‐dependent polarizabilities and Van der Waals dispersion coefficients for polyatomic molecules

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