Efficient Calculation of Absorption Spectra in Solution: Approaches for Selecting Representative Solvent Configurations and for Reducing the Number of Explicit Solvent Molecules
XUE Bai,CHEN Tiannan,SIEPMANN J.Ilja
Efficient Calculation of Absorption Spectra in Solution: Approaches for Selecting Representative Solvent Configurations and for Reducing the Number of Explicit Solvent Molecules
Bai XUE,Tiannan CHEN,J. Ilja SIEPMANN
物理化学学报 . 2018, (10): 1106 -1115 .  DOI: 10.3866/PKU.WHXB201701083