Multiwfn（http://sobereva.com/multiwfn）手册4.A.9节专门说了怎么算TrESP以及基于它计算库仑耦合

一些用Multiwfn算TrESP的文章（Google学术可搜到）：
Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes
Dipole Moment of the S0 → S1 Chlorophyll a Transition in Solvents with a Varied Refraction Index
FROM EXCITONS TO EXCIMERS-UNDERSTANDING THE STEADY-STATE ABSORPTION AND PHOTOLUMINESCENCE FEATURES OF PERYLENE DIIMIDE DYES
Improved Modeling of Thioamide FRET Quenching by Including Conformational Restriction and Coulomb Coupling
Ultrafast and Long-Range Exciton Migration through Anisotropic Coulombic Coupling in the Textured Films of Fused-Ring Electron Acceptors
On a Chlorophyll-Caroteinoid Coupling in LHCII
A de novo strategy for predictive crystal engineering to tune excitonic coupling
等等

是不是把transition charge当成普通的原子电荷了？transition charge是对transition density做布居分析得到的电荷，是需要另外计算的