natural orbitals

Publikacje

• Artykuł Constraints upon Functionals of the 1-Matrix, Universal Properties of Natural Orbitals, and the Fallacy of the Collins “Conjecture” / Jerzy Cioslowski, Krzysztof Strasburger. // Journal of Physical Chemistry Letters. 2024, , s.1328-1337 DOI: 10.1021/acs.jpclett.3c03118 2024
• Artykuł Natural orbitals and their occupation numbers for free anyons in the magnetic gauge / Jerzy Cioslowski, Oliver M. Brown, and Tomasz Maciazek. // Physical Review. Seria A. 2024, , s.1-10 DOI: 10.1103/PhysRevA.109.023316 2024
• Artykuł Tool for assessing the accuracy of approximate electronic wave functions / Jerzy Cioslowski and Krzysztof Strasburger. // Physical Review. Seria A. 2024, , s.1-8 DOI: 10.1103/PhysRevA.109.L010801 2024
• Artykuł 1-Matrix functional for long-range interaction energy of two hydrogen atoms / Jerzy Cioslowski, Christian Schilling, Rolf Schilling. // Journal of Chemical Physics. 2023, Vol. 158 Issue 8 DOI: 10.1063/5.013989 2023
• Artykuł Symmetry Equiincidence of Natural Orbitals / Jerzy Cioslowski and Krzysztof Strasburger. // Journal of Physical Chemistry Letters. 2023, , s.9296-9303 DOI: 10.1021/acs.jpclett.3c01738 2023
• Artykuł Reverse engineering in quantum chemistry : how to reveal the fifth-order off-diagonal cusp in the one-electron reduced density matrix without actually calculating it / Jerzy Cioslowski. // International Journal of Quantum Chemistry. 2022, vol. 122 issue 8, s.1-12 DOI: 10.1002/qua.26651 2022
• Artykuł Solitonic natural orbitals in Coulombic systems / Jerzy Cioslowski, Filip Prątnicki, Krzysztof Strasburger. // Journal of Chemical Physics. 2022, vol. 156 iss. 3, s.1-11 DOI: 10.1063/5.0075986 2022
• Artykuł From Fredholm to Schrödinger via Eikonal : a new formalism for revealing unknown properties of natural orbitals / Jerzy Cioslowski and Krzysztof Strasburger. // Journal of Chemical Theory and Computation. 2021, vol. 17 iss. 11, s.6918-6933 DOI: 10.1021/acs.jctc.1c00709 2021
• Artykuł Universalities among natural orbitals and occupation numbers pertaining to ground states of two electrons in central potentials / Jerzy Cioslowski, Filip Prątnicki. // Journal of Chemical Physics. 2019, vol. 151 iss. 18 DOI: 10.1063/1.5123669 2019
• Artykuł Natural orbitals of the ground state of the two‑electron harmonium atom / Jerzy Cioslowski. // Theoretical Chemistry Accounts. 2018, vol. 137 iss. 12 DOI: 10.1007/s00214-018-2362-5 2018

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