报告题目:An Introduction to Computational Quantum Chemistry
报 告 人:Dr. Rika Kobayashi (Australian National University)
报告时间:2018年9月13 日(周四)15:30
报告地点:校本部E106
邀请摘要:
This is a beginner level talk introducing the fundamentals of computational chemistry from an electronic structure wavefunction approach. It will cover the basic theory and methodology behind commonly used ab initio quantum chemical methods and provide examples of how they can be applied.