196 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Jilin UniversityCN11 papers
- University of CambridgeGB2 papers
- University of Maryland, College ParkUS2 papers
- University of MonsBE2 papers
- University of NamurBE2 papers
- University of OxfordGB2 papers
- Vilnius UniversityLT2 papers
- Aalto UniversityFI1 paper
- Center for Physical Sciences and TechnologyLT1 paper
- Charles UniversityCZ1 paper
- Donostia International Physics CenterES1 paper
- Harvard UniversityUS1 paper
4 papers · 1 filter
Analytic Theory of Finite-size Effects in Supercell Modelings of Charged Interfaces
Cong Pan, Shasha Yi, Zhonghan Hu
The Ewald3D sum with the tinfoil boundary condition (e3dtf) evaluates the electrostatic energy of a finite unit cell inside an infinitely periodic supercell. Although it has been u…
Note: A pairwise form of the Ewald sum for non-neutral systems
Shasha Yi, Cong Pan, Zhonghan Hu
Using an example of a mixed discrete-continuum representation of charges under the periodic boundary condition, we show that the exact pairwise form of the Ewald sum, which is well…
Excitation Dynamics and Relaxation in a Molecular Heterodimer
V. Balevicius, A. Gelzinis, D. Abramavicius +2
The exciton dynamics in a molecular heterodimer is studied as a function of differences in excitation and reorganization energies, asymmetry in transition dipole moments and excite…
Advancing hierarchical equations of motion for efficient evaluation of coherent two-dimensional spectroscopy
Jian Xu, Rui-Xue Xu, Darius Abramavicius +2
To advance hierarchial equations of motion as a standard theory for quantum dissipative dynamics, we put forward a mixed Heisenberg--Schrodinger scheme with block-matrix implementa…