Performance of Conventional and Range-Separated Hybrid Density Functionals in Calculations of Electronic Circular Dichroism Spectra of Transition Metal Complexes-Reference-Cited by-同舟云学术

Performance of Conventional and Range-Separated Hybrid Density Functionals in Calculations of Electronic Circular Dichroism Spectra of Transition Metal Complexes

Published:2011-12-06 Issue:51 Volume:115 Page:14677-14686
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Rudolph Mark¹,Autschbach Jochen¹

Affiliation:

1. Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp2093725

Reference56 articles.

1. Propagator corrections to adiabatic time-dependent density-functional theory linear response theory

2. Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange

3. Time-Dependent Density Functional Theory

4. Long-range excitations in time-dependent density functional theory

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