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Development of QC2AS -- A Computer Algebra System for Symbolic Quantum Chemical Computations

Authors: Takeshi Osoekawa; Yuji Mochizuki; Kazuhiro Yokoyama;

Development of QC2AS -- A Computer Algebra System for Symbolic Quantum Chemical Computations

Abstract

This paper introduces QC2AS which is a newly designed and developed computer algebra system for symbolic quantum chemical computations. With the rapid advancement of computer, the concern with high-level model chemistry has been growing. To handle such models, it is necessary to manipulate huge algebraic formulas. QC2AS has been designed to handle algebraic formulas appeared in quantum chemistry and it provides an access to our computer algebraic techniques without knowing the background theories. In this paper, we introduce its features and the architecture with some illustrative examples. This is the first report about the development of QC2AS.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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