Efficient Calculation of Absorption Spectra in Solution:Approaches for Selecting Representative Solvent Configurations and for Reducing the Number of Explicit Solvent Molecules

所属期刊栏目：34

资助基金：This material is based upon work supported by the U.S.Department of Energy,Office of Science,Office of Advanced Scientific Computing Research,Scientific Discovery through Advanced Computing SciDAC program,under Award No.DE-SC0008666.The authors acknowledge the Minnesota Supercomputing Institute MSI at the University of Minnesota for providing computational resources that contributed to this work

在线出版日期：2018-11-02（万方平台首次上网日期，不代表论文的发表时间）

页数：共10页

页码：1106-1115