TCCL
TCCL
TCCL
Tutorial
DFT Calculation with Pyscf
131th KCS Electron Structure Culculations Tutorial
See the .pdf or .docx file below. You can copy Python codes from .docx files.
Part 01 Code
Part 02 Code
Part 03 Code
Updated
Value of PBE-D4 and B3LYP-D4 at p. 35 had been changed (28. June. 2023.)
TCCL
Develop computer-aided tools that help understand, visualize,  and provide fundamental theories for molecular processes
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