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Assessing the density functional theory-based multireference configuration interaction (DFT/MRCI) method for transition metal complexes

✍ Scribed by Escudero, Daniel; Thiel, Walter


Book ID
127051947
Publisher
American Institute of Physics
Year
2014
Tongue
English
Weight
398 KB
Volume
140
Category
Article
ISSN
0021-9606

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It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably