RAW DATA overlaps
收藏官方服务：
资源简介：
RAW DATA files corresponding to the molecular orbitals (MO) of both monomers (MOmons) and their overlap matrix in the dimer (Sdim). For a specific lateral contact, say X, we have thus the X_MOmons.txt and X_Sdim.txt files. Inputs are then easily constructed, e.g.: cat X_Sdim.txt files X_MOmons.txt > X.inp. After computation, the complete overlap matrix in the monomer basis is contained in X_Smon.out.
提供机构：
Zenodo创建时间：
2026-06-10
