Welcome to blog-quoi!

Contents

• 使用pyAutoMR做对称破缺计算

MR Practice

• Multireference Tutorial
• Multireference Scan of Diatomic Molecules
• CASSCF计算
• NEVPT2/MRCI计算

MR Theory

• MCSCF 01: SOSCF

Indices and tables

• Index

• Module Index

• Search Page