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个人简介
His group carries out research on relativistic electron-structure theory and heavy-element chemistry.
The Cheng group develops novel electronic-structure methods and applies them in chemical and spectroscopic studies. The ultimate goal in the area of electronic-structure theory is perhaps to have a set of quantum-chemical methods and computer programs that are generally applicable to the entire periodic table and to both ground and excited electronic states. Our present work focuses on the treatment of relativistic effects on molecular properties.
An accurate and efficient treatment of relativistic effects remains a challenging task for quantum-chemical calculations, while promising progress has occurred in the past a few decades leading to a hierarchy of relativistic quantum-mechanical approaches that systematically relates the non-relativistic world (Schrodinger equation) to the relativistic world (Dirac equation).
The Cheng group develops novel electronic-structure methods and applies them in chemical and spectroscopic studies. The ultimate goal in the area of electronic-structure theory is perhaps to have a set of quantum-chemical methods and computer programs that are generally applicable to the entire periodic table and to both ground and excited electronic states. Our present work focuses on the treatment of relativistic effects on molecular properties.
An accurate and efficient treatment of relativistic effects remains a challenging task for quantum-chemical calculations, while promising progress has occurred in the past a few decades leading to a hierarchy of relativistic quantum-mechanical approaches that systematically relates the non-relativistic world (Schrodinger equation) to the relativistic world (Dirac equation).
研究兴趣
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JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 2 (2024): 787-798
Physical review lettersno. 15 (2023): 153202
Journal of chemical theory and computationno. 13 (2023): 4136-4148
JOURNAL OF CHEMICAL PHYSICSno. 24 (2023)
Lan Cheng, Chaoqun||Zheng, Zhang
Proceedings of the 2023 International Symposium on Molecular Spectroscopy (2023)
MOLECULAR PHYSICS (2023)
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