43 citations · 72 across the 5 of their papers we have counts for
5 papers
Dynamic surface electronic reconstruction as symmetry-protected topological orders in topological insulator Bi2Se3
G. J. Shu, S. C. Liou, S. K. Karna +3
Layered narrow band gap semiconductor Bi2Se3 is composed of heavy elements with strong spin-orbital coupling (SOC), which has been identified both as a good candidate of thermoelec…
Graphene-like conjugated pi-bond system in Pb1-xSnxSe
G. J. Shu, S. C. Liou, S. Karna +4
Following the identification of the pi bond in graphene, in this work, a pi bond constructed through side-to-side overlap of half-filled 6pz orbitals was observed in a non-carbon c…
Plasmonic excitations in quantum-sized sodium nanoparticles studied by time-dependent density functional calculations
Jian-Hao Li, Michitoshi Hayashi, Guang-Yu Guo
The plasmonic properties of sphere-like bcc Na nanoclusters ranging from Na to Na have been studied by real-time time-dependent local density approximation calculati…
Significant Role of DNA Backbone in Mediating the Transition Origin of Electronic Excitations of B-DNA - Implication from Long Range Corrected TDDFT and Quantified NTO Analysis
Jian-Hao Li, Jeng-Da Chai, Guang-Yu Guo +1
We systematically investigate the possible complex transition origin of electronic excitations of giant molecular systems by using the recently proposed QNTO analysis [J.-H. Li, J.…
The Quantified NTO Analysis for the Electronic Excitations of Molecular Many-Body Systems
Jian-Hao Li, Jeng-Da Chai, Guang-Yu Guo +1
We show that the origin of electronic transitions of molecular many-body systems can be revealed by a quantified natural transition orbitals (QNTO) analysis and the electronic exci…