Noninterfering and simultaneous Stern-Gerlach and Heisenberg microscope experiments to measure the full electron coordinate in an entangled state

Autor: Oleg V. Gritsenko

Publikováno v: Physical Review A, 104(3):032210, 1-4. American Physical Society
Gritsenko, O V 2021, ' Noninterfering and simultaneous Stern-Gerlach and Heisenberg microscope experiments to measure the full electron coordinate in an entangled state ', Physical Review A, vol. 104, no. 3, 032210, pp. 1-4 . https://doi.org/10.1103/PhysRevA.104.032210

In two celebrated experiments of quantum mechanics, the Stern-Gerlach (SG) and Heisenberg microscope (HM) experiments, the electron spin ${s}_{z}$ and spatial $\mathbit{r}$ coordinates are measured separately. In this paper, the combined $\mathrm{SG}

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4bde3f652324b4d3283e7b696847bf43
https://doi.org/10.1103/PhysRevA.104.032210

Local Enhancement of Dynamic Correlation in Excited States: Fresh Perspective on Ionicity and Development of Correlation Density Functional Approximation Based on the On-Top Pair Density

Autor: Michał Hapka, Oleg V. Gritsenko, Katarzyna Pernal

Publikováno v: The Journal of Physical Chemistry Letters
Hapka, M, Pernal, K & Gritsenko, O V 2020, ' Local Enhancement of Dynamic Correlation in Excited States : Fresh Perspective on Ionicity and Development of Correlation Density Functional Approximation Based on the On-Top Pair Density ', The journal of physical chemistry letters, vol. 11, no. 15, pp. 5883-5889 . https://doi.org/10.1021/acs.jpclett.0c01616
The journal of physical chemistry letters, 11(15), 5883-5889. American Chemical Society

We discuss the interplay between the nondynamic and dynamic electron correlation in excited states from the perspective of the suppression of dynamic correlation (SDC) and enhancement of dynamic correlation (EDC) effects. We reveal that there exists

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea340eb54d12b38e7f5b41785a5a934d
https://doi.org/10.1021/acs.jpclett.0c01616

Electron correlation energy with a combined complete active space and corrected density-functional approach in a small basis versus the reference complete basis set limit

Autor: Robert van Meer, Katarzyna Pernal, Oleg V. Gritsenko

Publikováno v: Gritsenko, O V, van Meer, R & Pernal, K 2019, ' Electron correlation energy with a combined complete active space and corrected density-functional approach in a small basis versus the reference complete basis set limit : A close agreement ', Chemical Physics Letters, vol. 716, pp. 227-230 . https://doi.org/10.1016/j.cplett.2018.12.028
Chemical Physics Letters, 716, 227-230. Elsevier

Approximate CASΠDFT scheme of the E c calculation is considered, in which its non-dynamic E c nd and dynamic E c d components are calculated with the complete active space (CAS) configuration interaction (CI) for valence bonds in a small basis and d

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5891b18f87ffce2f852b13f61c8a458
https://research.vu.nl/en/publications/c5ab6d47-8d13-43b1-b507-2860b3149f56

Combining density-based dynamical correlation with a reduced-density-matrix strong-correlation description

Autor: Robert van Meer, Oleg V. Gritsenko, Jeng-Da Chai

Publikováno v: Van Meer, R, Gritsenko, O & Chai, J D 2020, ' Combining density-based dynamical correlation with a reduced-density-matrix strong-correlation description ', Physical Review A, vol. 102, no. 3, 032815 . https://doi.org/10.1103/PhysRevA.102.032815
Physical Review A, 102(3):032815. American Physical Society

A combined density and density-matrix functional method is proposed for the calculation of potential energy curves of molecular multibond dissociation. Its density-matrix part, a pair-density functional, efficiently approximates the ab initio pair de

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c3441e83927cc250aa99931ed7d025a
https://research.vu.nl/en/publications/77aff526-7282-4de1-abcd-f033f35c33e9

Quantum collapse as reduction from a continuum of conditional amplitudes in an entangled state to a single actualized amplitude in the collapsed state

Autor: Oleg V. Gritsenko

Publikováno v: Gritsenko, O V 2020, ' Quantum collapse as reduction from a continuum of conditional amplitudes in an entangled state to a single actualized amplitude in the collapsed state ', Physical Review A, vol. 101, no. 1, 012106, pp. 1-5 . https://doi.org/10.1103/PhysRevA.101.012106
Physical Review A, 101(1):012106, 1-5. American Physical Society

According to the Copenhagen interpretation of quantum mechanics a measurement leads to the collapse of a quantum system. A unified description of a quantum system before and after measurement of the position r1a and the spin s1a of one of its electro

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::885a0974e74545c9bf58002536d625ff
https://doi.org/10.1103/physreva.101.012106