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Novel perturbative and variational methods for stronger correlations: general discussion.
- Source :
- Faraday Discussions; 2024, Issue 254, p191-215, 25p
- Publication Year :
- 2024
-
Abstract
- The article "Novel perturbative and variational methods for stronger correlations: general discussion" delves into the quantification of electron correlation through quantum states and molecular Hamiltonians. It emphasizes the challenges of predicting correlation levels and the significance of kinematic measures in understanding quantum state structures. Various quantum chemistry methods like singlet excitations and coupled cluster theory are explored to study electronic states in molecular systems, with a focus on accuracy and efficiency through chemical intuition and symmetry constraints. The text showcases different researchers' efforts in developing and applying these methods to enhance the understanding of electronic structures and properties in molecular systems. [Extracted from the article]
Details
- Language :
- English
- ISSN :
- 13596640
- Issue :
- 254
- Database :
- Complementary Index
- Journal :
- Faraday Discussions
- Publication Type :
- Academic Journal
- Accession number :
- 180701355
- Full Text :
- https://doi.org/10.1039/d4fd90041c