A substructure-based topological quantum chemistry approach for the estimation of the ultraviolet absorption energy of some substituted linear conjugated compounds

2016 ◽  
Vol 1096 ◽  
pp. 66-73 ◽  
Author(s):  
Hua Yuan ◽  
Chenzhong Cao
Keyword(s):  
Quantum Chemistry ◽  
Ultraviolet Absorption ◽  
Absorption Energy ◽  
Topological Quantum ◽  
Conjugated Compounds

scholarly journals Topological quantum chemistry

Nature ◽  
2017 ◽  
Vol 547 (7663) ◽  
pp. 298-305 ◽  
Author(s):  
Barry Bradlyn ◽  
L. Elcoro ◽  
Jennifer Cano ◽  
M. G. Vergniory ◽  
Zhijun Wang ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Topological Quantum

scholarly journals Graph theory data for topological quantum chemistry

2017 ◽  
Vol 96 (2) ◽  
Author(s):  
M. G. Vergniory ◽  
L. Elcoro ◽  
Zhijun Wang ◽  
Jennifer Cano ◽  
C. Felser ◽  
...  
Keyword(s):  
Graph Theory ◽  
Quantum Chemistry ◽  
Topological Quantum

scholarly journals Author Correction: Topological quantum chemistry

Nature ◽  
2020 ◽  
Vol 582 (7812) ◽  
pp. E14-E14
Author(s):  
Barry Bradlyn ◽  
L. Elcoro ◽  
Jennifer Cano ◽  
M. G. Vergniory ◽  
Zhijun Wang ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Topological Quantum

scholarly journals Towards a topological quantum chemistry description of correlated systems: The case of the Hubbard diamond chain

2021 ◽  
Vol 104 (19) ◽  
Author(s):  
Mikel Iraola ◽  
Niclas Heinsdorf ◽  
Apoorv Tiwari ◽  
Dominik Lessnich ◽  
Thomas Mertz ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Correlated Systems ◽  
Topological Quantum

scholarly journals Band connectivity for topological quantum chemistry: Band structures as a graph theory problem

2018 ◽  
Vol 97 (3) ◽  
Author(s):  
Barry Bradlyn ◽  
L. Elcoro ◽  
M. G. Vergniory ◽  
Jennifer Cano ◽  
Zhijun Wang ◽  
...  
Keyword(s):  
Graph Theory ◽  
Quantum Chemistry ◽  
Theory Problem ◽  
Band Structures ◽  
Topological Quantum

scholarly journals Band Representations and Topological Quantum Chemistry

2020 ◽  
Vol 12 (1) ◽  
Author(s):  
Jennifer Cano ◽  
Barry Bradlyn
Keyword(s):  
Quantum Chemistry ◽  
Momentum Space ◽  
Condensed Matter ◽  
Annual Review ◽  
Publication Date ◽  
Symmetry Groups ◽  
Future Developments ◽  
Topological Quantum ◽  
Symmetry Constraints ◽  
Topological Crystalline Insulators

In this article, we provide a pedagogical review of the theory of topological quantum chemistry and topological crystalline insulators. We begin with an overview of the properties of crystal symmetry groups in position and momentum space. Next, we introduce the concept of a band representation, which quantifies the symmetry of topologically trivial band structures. By combining band representations with symmetry constraints on the connectivity of bands in momentum space, we show how topologically nontrivial bands can be cataloged and classified. We present several examples of new topological phases discovered using this paradigm and conclude with an outlook toward future developments. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 12 is March 10, 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

scholarly journals Engineering fragile topology in photonic crystals: Topological quantum chemistry of light

2019 ◽  
Vol 1 (3) ◽  
Author(s):  
María Blanco de Paz ◽  
Maia G. Vergniory ◽  
Dario Bercioux ◽  
Aitzol García-Etxarri ◽  
Barry Bradlyn
Keyword(s):  
Photonic Crystals ◽  
Quantum Chemistry ◽  
Topological Quantum

scholarly journals Publisher's Note: Graph theory data for topological quantum chemistry [Phys. Rev. E 96 , 023310 (2017)]

2020 ◽  
Vol 101 (6) ◽  
Author(s):  
M. G. Vergniory ◽  
L. Elcoro ◽  
Zhijun Wang ◽  
Jennifer Cano ◽  
C. Felser ◽  
...  
Keyword(s):  
Graph Theory ◽  
Quantum Chemistry ◽  
Topological Quantum

scholarly journals Building blocks of topological quantum chemistry: Elementary band representations

2018 ◽  
Vol 97 (3) ◽  
Author(s):  
Jennifer Cano ◽  
Barry Bradlyn ◽  
Zhijun Wang ◽  
L. Elcoro ◽  
M. G. Vergniory ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Building Blocks ◽  
Topological Quantum ◽  
Elementary Band
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