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
Acta Phys. -Chim. Sin. . 2018, (10): 1106 -1115 .  DOI: 10.3866/PKU.WHXB201701083