Proceedings of the Symposium on Chemoinformatics
34th Symposium on Chemical Information and Computer Sciences, Nagasaki
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Poster Session
Accuracy-controlled 2nd-order convergence method in quantum chemical calculations
*Shigeru Obara
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CONFERENCE PROCEEDINGS FREE ACCESS

Pages P16

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Abstract
Accuracy-controlled 2nd-order convergence method has been presented for accurate quantum chemical calculations based on molecular orbital method, and has been found to provide us an efficient method for obtaining accurate molecular orbitals.
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© 2011 The Chemical Society of Japan
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