Abstract
UTChem is a quantum chemistry software developed by Hirao’s group at the University of Tokyo. UTChem is a research product of our work to develop new and better theoretical methods in quantum chemistry.
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Keywords
- Occupied Orbital
- Basis Spinor
- Pacific Northwest National Laboratory
- Localize Molecular Orbital
- Atomic Natural Orbital
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Yanai, T. et al. (2003). UTChem — A Program for ab initio Quantum Chemistry. In: Sloot, P.M.A., Abramson, D., Bogdanov, A.V., Gorbachev, Y.E., Dongarra, J.J., Zomaya, A.Y. (eds) Computational Science — ICCS 2003. ICCS 2003. Lecture Notes in Computer Science, vol 2660. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-44864-0_9
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