With
recent developments of high-level ab initio molecular
electronic structure theory, quantum chemical calculation
is gradually being a reliable tool to analyze results of
various chemical experiments. However, it is still
difficult to perform such a high level quantum chemical
calculation for the systems containing heavy elements like
transition metals, lanthanides or actinides, since we have
to treat two big problems "electron-electron correlation"
and "relativistic effects" at the same time. In our
laboratory, we're trying to develop a new quantum chemical
method named "Model Core Potential (MCP)" to overcome these
problems. (Detail is still under construction.)
Contact
Hirotoshi MORI
Division of Advanced Sciences, Ocha-dai Academic Production
Ochanomizu University
2-1-1 Ohtsuka, Bunkyo-ku, Tokyo 112-8610, Japan
E-mail: mori.hirotoshi_at_ocha.ac.jp
Tel: +81-3-5978-5068, Fax: +81-3-5978-2612
