The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Measuring orbital interaction using quantum information theory
Open accessAbstract
Abstract Quantum information theory gives rise to a straightforward definition of the interaction of electrons Ip,q in two orbitals p,q for a given many-body wave function. A convenient way to calculate the von Neumann entropies needed is presented in this work, and the orbital interaction Ip,q is successfully tested for different types of chemical bonds. As an example of an application of Ip,q beyond the interpretation of wave functions, Ip,q is then used to investigate the ordering problem in the density-matrix renormalization group.
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Citations
Cites
Density matrix formulation for quantum renormalization groups
White, S. R. (1992) · Physical Review Letters · doi:10.1103/physrevlett.69.2863 · Cited by 7,702
Self-citationThe density-matrix renormalization group
Schollwöck, U. (2005) · Reviews of Modern Physics · doi:10.1103/revmodphys.77.259 · Cited by 3,323
Legeza, Ö., Röder, J., & Hess, B. A. (2003) · Physical Review B · doi:10.1103/physrevb.67.125114 · Cited by 263
Cited by
Orús, R. (2014) · Annals of Physics · doi:10.1016/j.aop.2014.06.013 · Cited by 2,255
OpenMolcas: From Source Code to Insight
Fdez. Galván, I., Vacher, M., Alavi, A., Angeli, C., Aquilante, F., Autschbach, J., Bao, J. J., Bokarev, S. I., Bogdanov, N. A., Carlson, R. K., et al. (2019) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.9b00532 · Cited by 1,114
The Variational Quantum Eigensolver: A review of methods and best practices
Tilly, J., Chen, H., Cao, S., Picozzi, D., Setia, K., Li, Y., Grant, E., Wossnig, L., Rungger, I., Booth, G. H., et al. (2022) · Physics Reports · doi:10.1016/j.physrep.2022.08.003 · Cited by 1,031
The Density Matrix Renormalization Group in Quantum Chemistry
Chan, G. K.-L., & Sharma, S. (2011) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-032210-103338 · Cited by 822
Nandy, A., Duan, C., Taylor, M. G., Liu, F., Steeves, A. H., & Kulik, H. J. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00347 · Cited by 358
Metadata
- Authors
- Rissler, J., Noack, R. M., & White, S. R.
- Venue
- Chemical Physics
- Publisher
- Elsevier BV
- Published
- 2006-04
- Volume
- 323
- Issue
- 2-3
- Pages
- 519-531
- ISSN
- 0301-0104 (ISSN-L)
- OpenAlex
- W1984531176
- Cited by
- 265
- References
- 3
- FWCI
- 1.02
- Type
- journal article
- Language
- en
- Open access
- green
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