Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
November 17, 2006The Journal of Physical Chemistry A

Density Functional for Spectroscopy:  No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States

View Full Paper
Ask AI
Bookmark
Share

Authors

YZYan ZhaoDTDonald G. Truhlar

Discussion

Loading...

Member takes

Overview

Key Points

Key points are not available for this paper at this time.

Cite This Study

Zhao et al. (2006) studied this question.

synapsesocial.com/papers/69d89aa5de3177251abedb39https://doi.org/10.1021/jp066479k
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Density Functional Theory of Electronic Structure1996 · 3,477 citations
  2. 2Assessment of Density Functionals for π Systems:  Energy Differences between Cumulenes and Poly-ynes; Proton Affinities, Bond Length Alternation, and Torsional Potentials of Conjugated Polyenes; and Proton Affinities of Conjugated Shiff Bases2006 · 196 citations
  3. 3Electron Correlation Effects in Molecules1996 · 208 citations
  4. 4Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold1998 · 5,022 citations
  5. 5Correlation Effects in Atomic Structure Using the Random-Phase Approximation1964 · 149 citations