journal article·2023-12-01Open access

On the relation between nodal structures in quantum wave functions and particle correlation

Peter Schürger, Volker Engel

AIP Advances· Volume 13· Issue 12

Abstract

We study the influence of nodal structures in two-dimensional quantum mechanical densities on wave packet entanglement. This is motivated by our recent study [Entropy, 25, 970 (2023)], which showed that the mutual information derived from the momentum-space probability density of a coupled two-particle system exhibits an unusual time dependence, which is not encountered if the position-space density is employed in the calculation. In studying a model density, here, we identify cases where the mutual information increases with the number of nodes in the wave function and approaches a finite value, whereas in this limit, the linear correlation vanishes. The results of the analytical model are then applied to interpret the correlation measures for coupled electron-nuclear dynamics, which are treated by numerically solving the time-dependent Schrödinger equation.
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Research context

OpenAlex topics: Spectroscopy and Quantum Chemical Studies · Laser-Matter Interactions and Applications · Cold Atom Physics and Bose-Einstein Condensates

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Affiliations

Universität Würzburg Institut für Physikalische und Theoretische Chemie , Emil-Fischer-Str. 42, 97074 Würzburg, Germany

References (44)

Show source-provided references
1. Merzbacher · 1998
2. Califano · 1976
3. Reynolds · J. Chem. Phys. · 1982 · 77 · 559310.1063/1.443766 ↗
4. Anderson · 1995 · 1
5. Tellinghuisen · 1985
7. Eichelsdörfer · Chem. Phys. Lett. · 1996 · 263 · 64010.1016/s0009-2614(96)01271-7 ↗
8. Katsuki · Science · 2006 · 311 · 158910.1126/science.1121240 ↗
9. Kutzelnigg · Phys. Rev. · 1968 · 172 · 4910.1103/physrev.172.49 ↗
10. Bader · J. Am. Chem. Soc. · 1975 · 97 · 739110.1021/ja00859a001 ↗
11. Grobe · J. Phys. B: At., Mol. Opt. Phys. · 1994 · 27 · L50310.1088/0953-4075/27/16/001 ↗
12. Ziesche · Int. J. Quantum Chem. · 1995 · 56 · 36310.1002/qua.560560422 ↗
13. Sagar · J. Chem. Phys. · 2005 · 123 · 04410810.1063/1.1953327 ↗
14. Sagar · J. Chem. Phys. · 2006 · 124 · 13410110.1063/1.2180777 ↗
15. Nalewajski · Found. Chem. · 2014 · 16 · 2710.1007/s10698-012-9168-7 ↗
16. Ludeña · J. Phys. Chem. A · 2020 · 124 · 38610.1021/acs.jpca.9b10503 ↗
17. López-Rosa · J. Chem. Theory Comput. · 2010 · 6 · 14510.1021/ct900544m ↗
18. López-Rosa · Int. J. Quantum Chem. · 2019 · 119 · e2586110.1002/qua.25861 ↗
19. Angulo · Entropy · 2022 · 24 · 23310.3390/e24020233 ↗
20. Esquivel · J. Phys. Chem. A · 2023 · 127 · 615910.1021/acs.jpca.3c01957 ↗
21. Shannon · Bell Syst. Tech. J. · 1948 · 27 · 37910.1002/j.1538-7305.1948.tb01338.x ↗
22. Salazar · Eur. Phys. J. Plus · 2022 · 137 · 1910.1140/epjp/s13360-021-02215-z ↗
24. Cover · 2006
25. Hertz · J. Phys. A: Math. Theor. · 2019 · 52 · 17300110.1088/1751-8121/ab03f3 ↗
26. Li · J. Stat. Phys. · 1990 · 60 · 82310.1007/bf01025996 ↗
27. Inc · 2021
28. Corless · Adv. Comput. Math. · 1996 · 5 · 32910.1007/bf02124750 ↗
29. Shin · J. Phys. Chem. · 1996 · 100 · 786710.1021/jp952498a ↗
30. Shin · J. Chem. Phys. · 1995 · 102 · 928510.1063/1.468795 ↗
31. Feit · J. Comput. Phys. · 1982 · 47 · 41210.1016/0021-9991(82)90091-2 ↗
32. Kosloff · Chem. Phys. Lett. · 1986 · 127 · 22310.1016/0009-2614(86)80262-7 ↗
33. Schleich · 200110.1002/3527602976 ↗
34. Laguna · Entropy · 2013 · 15 · 151610.3390/e15051516 ↗
35. Santos · Physica A · 2021 · 579 · 12593710.1016/j.physa.2021.125937 ↗
36. Schürger · J. Phys. Chem. Lett. · 2023 · 14 · 33410.1021/acs.jpclett.2c03635 ↗
37. Schürger · Phys. Chem. Chem. Phys. · 2023 · 25 · 2837310.1039/d3cp03573e ↗
38. Schürger · Entropy · 2023 · 25 · 97010.3390/e25070970 ↗
39. Jwo · Entropy · 2023 · 25 · 117710.3390/e25081177 ↗
40. Eberly · Phys. Rev. Lett. · 1980 · 44 · 132310.1103/physrevlett.44.1323 ↗
41. Averbukh · Phys. Lett. A · 1989 · 139 · 44910.1016/0375-9601(89)90943-2 ↗
42. Robinett · Phys. Rep. · 2004 · 392 · 110.1016/j.physrep.2003.11.002 ↗
43. Knospe · Phys. Rev. A · 1996 · 54 · 115410.1103/physreva.54.1154 ↗
44. Leichtle · Phys. Rev. A · 1996 · 54 · 529910.1103/physreva.54.5299 ↗