Serenity: A subsystem quantum chemistry program
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DOI: 10.1002/jcc.25162
Abstract: We present the new quantum chemistry program Serenity. It implements a wide variety of functionalities with a focus on subsystem methodology. The modular code structure in combination with publicly available external tools and particular design… read more here.
Keywords: program serenity; chemistry program; quantum chemistry; chemistry ... See more keywords
Kylin 1.0: An ab‐initio density matrix renormalization group quantum chemistry program
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27085
Abstract: The accurate evaluation of electron correlations is highly necessary for the proper descriptions of the electronic structures in strongly correlated molecules, ranging from bond‐dissociating molecules, polyradicals, to large conjugated molecules and transition metal complexes. For… read more here.
Keywords: density matrix; quantum chemistry; chemistry; chemistry program ... See more keywords