Projects funded by the NCN
Densitals, Ditopology, and Double Drachmanization: New Concepts and Formalisms for Computation and Analysis of the Two-Electron Density
2022/47/B/ST4/00002
Keywords:
Electronic structure calculations Two-electron densities Density-matrix functional theory Natural spinorbitals Coulombic systems
Descriptors:
- ST4_004:
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Szczeciński, Instytut Fizyki
woj. zachodniopomorskie
Principal investigator (from the host institution):
prof. Jerzy Ryszard Ciosłowski
Number of co-investigators in the project: 3
Call: OPUS 24 - announced on 2022-07-15
Amount awarded: 961 300 PLN
Project start date (Y-m-d): 2023-06-02
Project end date (Y-m-d): 2027-06-01
Project duration:: 48 months (the same as in the proposal)
Project status: Pending project
Project description
Download the project description in a pdf file
Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.
Information in the final report
- Publication in academic press/journals (4)
- Constraints upon Functionals of the 1‑Matrix, Universal Properties of Natural Orbitals, and the Fallacy of the Collins ConjectureAuthors:Jerzy Cioslowski, Krzysztof StrasburgerAcademic press:The Journal of Physical Chemistry Letters (rok: 2024, tom: 15, strony: 1328−1337), Wydawca: ACS PublicationsStatus:PublishedDOI:10.1021/acs.jpclett.3c03118 - link to the publication
- Natural orbitals and their occupation numbers for free anyons in the magnetic gaugeAuthors:Jerzy Cioslowski, Oliver M. Brown, Tomasz MaciazekAcademic press:Physical Review A (rok: 2024, tom: 109, strony: 23316), Wydawca: American Physical SocietyStatus:PublishedDOI:10.1103/PhysRevA.109.023316 - link to the publication
- Natural DensitalsAuthors:Jerzy Cioslowski, Krzysztof StrasburgerAcademic press:The Journal of Physical Chemistry Letters (rok: 2025, tom: 16, strony: 710−716), Wydawca: ACS PublicationsStatus:PublishedDOI:10.1021/acs.jpclett.4c03166 - link to the publication
- Plain Capping for Improved Accuracy of Approximate One- and Two-Electron Densities at Two-Particle Coalescence PointsAuthors:Jerzy Cioslowski, Krzysztof StrasburgerAcademic press:Journal of Chemical Theory and Computation (rok: 2024, tom: 20, strony: 7876−7883), Wydawca: ACS PublicationsStatus:PublishedDOI:10.1021/acs.jctc.4c00533 - link to the publication