【摘 要】
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The development of wave function methods to describe molecules containing several transition metal,lanthanide,or actinide atoms is a very active field of re
【机 构】
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AarhusUniversity,Denmark
【出 处】
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2016年理论与高性能计算化学国际会议(International Conference on Theoretical
论文部分内容阅读
The development of wave function methods to describe molecules containing several transition metal,lanthanide,or actinide atoms is a very active field of research where fundamentally new methods,including the Density Matrix Renormalization Group Approach,are competing with incremental and technological improvements of well-established multi-configuration methods,such as XASSCF,X = C,R,G with perturbation corrections.
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