8 citations · 8 across the 1 of their papers we have counts for
4 papers
Tracing potential energy surfaces of electronic excitations via their transition origins: application to Oxirane
Jian-Hao Li, Tim J. Zuehlsdorff, Mike C. Payne +1
We show that the transition origins of electronic excitations identified by quantified natural transition orbital (QNTO) analysis can be employed to connect potential energy surfac…
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…