However, the def2-tzvp basis set that downloaded from the web of Basis Set Exchange for C atom...
The influence of diffuse basis functions on correlation energy, basis set superposition error, atomic electron affinity, dipole moments, and computational timings is evaluated at different levels of theory using benchmark sets and showcase examples. 展开▼ 机译:我们在身份解析(RI)后报告了与卡尔斯...