↓ Skip to main content

Quantum entanglement between electronic and vibrational degrees of freedom in molecules

Overview of attention for article published in Journal of Chemical Physics, December 2011
Altmetric Badge

About this Attention Score

  • In the top 25% of all research outputs scored by Altmetric
  • High Attention Score compared to outputs of the same age (92nd percentile)
  • High Attention Score compared to outputs of the same age and source (96th percentile)

Mentioned by

blogs
1 blog
twitter
1 X user
facebook
1 Facebook page
wikipedia
1 Wikipedia page

Citations

dimensions_citation
60 Dimensions

Readers on

mendeley
61 Mendeley
You are seeing a free-to-access but limited selection of the activity Altmetric has collected about this research output. Click here to find out more.
Title
Quantum entanglement between electronic and vibrational degrees of freedom in molecules
Published in
Journal of Chemical Physics, December 2011
DOI 10.1063/1.3671386
Pubmed ID
Authors

Laura K. McKemmish, Ross H. McKenzie, Noel S. Hush, Jeffrey R. Reimers

Abstract

We consider the quantum entanglement of the electronic and vibrational degrees of freedom in molecules with tendencies towards double welled potentials. In these bipartite systems, the von Neumann entropy of the reduced density matrix is used to quantify the electron-vibration entanglement for the lowest two vibronic wavefunctions obtained from a model Hamiltonian based on coupled harmonic diabatic potential-energy surfaces. Significant entanglement is found only in the region in which the ground vibronic state contains a density profile that is bimodal (i.e., contains two separate local maxima). However, in this region two distinct types of density and entanglement profiles are found: one type arises purely from the degeneracy of energy levels in the two potential wells and is destroyed by slight asymmetry, while the other arises through strong interactions between the diabatic levels of each well and is relatively insensitive to asymmetry. These two distinct types are termed fragile degeneracy-induced entanglement and persistent entanglement, respectively. Six classic molecular systems describable by two diabatic states are considered: ammonia, benzene, BNB, pyridine excited triplet states, the Creutz-Taube ion, and the radical cation of the "special pair" of chlorophylls involved in photosynthesis. These chemically diverse systems are all treated using the same general formalism and the nature of the entanglement that they embody is elucidated.

X Demographics

X Demographics

The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 61 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United Kingdom 1 2%
Japan 1 2%
Hungary 1 2%
United States 1 2%
Unknown 57 93%

Demographic breakdown

Readers by professional status Count As %
Researcher 17 28%
Student > Ph. D. Student 13 21%
Professor > Associate Professor 5 8%
Professor 5 8%
Student > Doctoral Student 3 5%
Other 17 28%
Unknown 1 2%
Readers by discipline Count As %
Physics and Astronomy 26 43%
Chemistry 24 39%
Engineering 2 3%
Computer Science 1 2%
Economics, Econometrics and Finance 1 2%
Other 4 7%
Unknown 3 5%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 14. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 10 March 2020.
All research outputs
#2,637,095
of 25,394,764 outputs
Outputs from Journal of Chemical Physics
#537
of 19,832 outputs
Outputs of similar age
#19,057
of 249,862 outputs
Outputs of similar age from Journal of Chemical Physics
#3
of 94 outputs
Altmetric has tracked 25,394,764 research outputs across all sources so far. Compared to these this one has done well and is in the 89th percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 19,832 research outputs from this source. They receive a mean Attention Score of 3.2. This one has done particularly well, scoring higher than 97% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 249,862 tracked outputs that were published within six weeks on either side of this one in any source. This one has done particularly well, scoring higher than 92% of its contemporaries.
We're also able to compare this research output to 94 others from the same source and published within six weeks on either side of this one. This one has done particularly well, scoring higher than 96% of its contemporaries.