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Journal of Mathematical Chemistry

Average energy and Shannon entropy of a confined harmonic oscillator in a time-dependent moving boundary

Debraj Nath, Amlan K. Roy

Published Mar 31, 2023• 4 citations
Publisher
DOI
10.1007/s10910-023-01471-x

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With the development of quantum technology and information science, significant attention is focused on studying the quantum information properties in confined systems. In this work, we present a systematic investigation of quantum information measures – including position-momentum uncertainty (Δx,Δp), Shannon entropy (Sx, Sp), and Onicescu energy (Ox, Op) in a confined Robin harmonic oscillator (CRHO) with symmetric boundary conditions λL = λR = λ. It is interesting to find that the Heisenberg uncertainty relation ΔxΔp≥ℏ/2, which holds under the Dirichlet boundary condition (λ = 0), is violated for the ground state of the CRHO. In contrast, the entropic uncertainty relation (Sx + Sp ≥ 1 + lnπ) remains satisfied at any Robin length λ and quantum state, demonstrating its fundamental advantage and broader applicability in quantum systems. For a fixed Robin length, we observe that as the quantum well width increases within a finite range, the position-space Shannon entropy Sₓ increases, while the Onicescu energy Oₓ decreases. Despite their opposing tendencies, both Shannon entropy and Onicescu energy reflect the same physical insight regarding the localisation-delocalisation property for the CRHO system. In addition, the dependence of these information measures on the Robin length is discussed, and their physical implications are highlighted. This study demonstrates that boundary conditions play a critical role in quantum information metrics, thereby informing the design and optimisation of quantum devices such as quantum dots, nanoscale resonators and atom-based sensors.
ABSTRACT In this work, we present an analytical solution of Schrödinger equation of confined pseudoharmonic potential in the presence of a moving boundary condition for an arbitrary angular momentum state. It turns out that an important quantity to probe the problem is the internuclear distance ratio, which depends on the solution of Ermakov equation. The minimum value of the time‐dependent (TD) Heisenberg uncertainty product always remains greater than that of the minimum uncertainty product . The TD average energy is derived analytically in a closed form, and the corresponding average force and average pressure are defined. Moreover, the time correlation function of two states for the case of six selected diatomic molecules (CO, NO, ScH, CH, , ) is obtained. It is found to depend on the internuclear distance ratio at two different time domains. The TD survival probability and average life‐time of a molecule in a confined quantum system are defined. Expressions are offered for quantum similarity measure, dissimilarity, and quantum similarity index. The latter is given for a pair of molecules. The obtained results are compared with available literature, wherever possible. To our knowledge this is the first detailed report of a non‐harmonic central potential in a TD moving boundary condition.
In this work, we present analytical solution of Schrödinger equation of confined pseudoharmonic potential in presence of a moving boundary condition, for an arbitrary angular momentum state. It turns out that an important quantity to probe the problem is internuclear distance ratio, which depends on the solution of Ermakov equation. The minimum value of time-dependent (TD) Heisenberg uncertainty product always remains greater than that of the minimum uncertainty product h/2. The TD average energy is derived analytically in a closed form and the corresponding average force and average pressure are defined. Moreover, time correlation function of two states for the case of six selected diatomic molecules (CO, NO, ScH, CH, H2, N2) is obtained. It is found to depend on internuclear distance ratio at two different time domains. The TD survival probability and average life-time of molecule in a confined quantum system are defined. Expressions are offered for quantum similarity measure, dissimilarity and quantum similarity index. The latter is given for a pair of molecules. The obtained results are compared with available literature, wherever possible. To our knowledge this is the first detailed report of a non-harmonic central potential in a TD moving boundary condition.