In view of the availability of such good programs as Gaussian, Gamess, Molcas, NWChem, etc., one may question the relevance of a new program package. Several years ago, we decided to accept this challenge. However, it is not an easy task for an individual/group to develop a comprehensive new program package in ab initio quantum chemistry from scratch. Software forms a basis for computational chemistry. 1 Introduction Present molecular quantum theory is highly sophisticated, and has evolved dramatically. UTChem is a research product of our work to develop new and better theoretical methods in quantum chemistry. UTChem is a quantum chemistry software developed by Hirao’s group at the University of Tokyo. UTChem – A Program for ab initio Quantum Chemistry Takeshi Yanai 1, Haruyuki Nakano 2, Takahito Nakajima 2,3, Takao Tsuneda 2, So Hirata 4, Yukio Kawashima 5, Yoshihide Nakao 2, Muneaki Kamiya 2, Hideo Sekino 6, and Kimihiko Hirao 2, 5 1 Oak Ridge National Laboratory, PO Box 2008 MS6367 Oak Ridge TN 37831-6367, USA 2 Department of Applied Chemistry, School of Engineering, University of Tokyo, Tokyo, Japan 113-8656 3 PREST, Japan Science and Technology Corporation (JST) 4 William R Wiley Environmental Molecular Sciences Laboratory Battelle, Pacific Northwest National Laboratory K1-96, P.O.Box 999, Richland, WA 99352, USA 5 Institute for Molecular Science Myodaiji, Okazaki, Japan 444-8585 6 Department of Knowledge-based Information Engineering Toyahashi University of Technology Toyohashi, Japan 441-8580 Abstract.
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