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Condensed Matter > Materials Science
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Assessing the Reliability of Truncated Coupled Cluster Wave Function: Estimating the Distance from the Exact Solution
1. Introduction Click to copy section linkSection link copied! In computational quantum chemistry, correlation effects are often distinguished into dynamic and static correlations according to their character. (1) The latter one, also known as nondynamic correlation, can be further divided to Type A or left–right strong correlation and Type B or angular strong correlation.
Carbon-contaminated topological defects in hexagonal boron nitride for quantum photonics - npj 2D Materials and Applications
Abstract Topological defects, such as Stone-Wales defects and grain boundaries, are common in 2D materials. In this study, we investigate the intricate interplay of topological defects and carbon contamination in hexagonal boron nitride revealing an intriguing class of color centers. We demonstrate that both carbon contamination and strain can stabilize Stone-Wales configurations and give rise to emitters with desirable optical properties in the visible spectral range.
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