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Time-dependent calculations in quantum mechanics

Martin Formánek

Published Jan 1, 2010• 0 citations
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Related papers

Calculations of time-dependent observables in non-Hermitian quantum mechanics: The problem and a possible solution

Ido Gilary, Avner Fleischer, Nimrod Moiseyev

The solutions of the time-independent Schr\"odinger equation for non-Hermitian (NH) Hamiltonians have been extensively studied and calculated in many different fields of physics by using ${L}^{2}$ methods that originally have been developed for the calculations of bound states. The existing non-Hermitian formalism breaks down when dealing with wave packets (WPs). An open question is how time-dependent expectation values can be calculated when the Hamiltonian is NH? Using the $F$-product formalism that was recently proposed by Moiseyev and Lein [J. Phys. Chem. 107, 7181 (2003)] we calculate the time-dependent expectation values of different observable quantities for a simple well-known study test case model Hamiltonian. We carry out a comparison between these results and those obtained from conventional (i.e., Hermitian) quantum mechanics (QM) calculations. The remarkable agreement between these results emphasizes the fact that in NH QM, unlike standard QM, there is no need to split the entire space into two regions, i.e., the interaction region and its surrounding. Our results open a door for a type of WP propagation calculations within the NH QM formalism that until now were impossible. In particular our work is relevant to the many different fields in physics and chemistry where complex absorbing potentials are introduced in order to reduce the propagation calculations to a restricted region in space where the artificial reflections from the edge of the numerical grid or box are avoided.

arXiv:quant-ph/0507243•Physical Review A•Jul 27, 2005•28 citations

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Within nonrelativistic quantum mechanics, spatial cusps in initial wave functions can lead to nonanalytic behavior in time. We suggest a method for calculating the short-time behavior in such situations. For these cases, the density does not match its Taylor expansion in time, but the Runge-Gross proof of time-dependent density functional theory still holds, as it requires only the potential to be time analytic.

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Time-Dependent Quantum Mechanics

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Exactly solvable time-dependent models in quantum mechanics and their applications

A. A. Suzko, Grigori Karlovich Giorgadze

Methods for obtaining exact and approximate solutions of the evolution of quantum-mechanical problems are discussed. The cyclic evolution of quantum systems described by time-periodic Hamiltonians is analyzed. A class of time-periodic Hamiltonians is constructed in the close analytical form. The corresponding cyclic solutions are calculated. Time-dependent Hamiltonians are generated whose expectation values calculated with cyclic solutions are time independent. It is shown that the expectation values of the spin projection calculated with the same cyclic solutions, as well as the probability density of finding a particle at a given space-time point, are also time independent. Therefore, the approach can be used to simulate quantum dynamic potential wells with the particle localization effect. Nonadiabatic geometric phases are expressed in terms of the cyclic solutions. Exactly solvable time-dependent problems are used to construct a universal set of gates for quantum computers. A method for obtaining entanglement operators is discussed.

Physics of Particles and Nuclei•Jul 1, 2008•4 citations
The solutions of the time-independent Schr\"odinger equation for non-Hermitian (NH) Hamiltonians have been extensively studied and calculated in many different fields of physics by using L2{L}^{2}L2 methods that originally have been developed for the calculations of bound states. The existing non-Hermitian formalism breaks down when dealing with wave packets (WPs). An open question is how time-dependent expectation values can be calculated when the Hamiltonian is NH? Using the FFF-product formalism that was recently proposed by Moiseyev and Lein [J. Phys. Chem. 107, 7181 (2003)] we calculate the time-dependent expectation values of different observable quantities for a simple well-known study test case model Hamiltonian. We carry out a comparison between these results and those obtained from conventional (i.e., Hermitian) quantum mechanics (QM) calculations. The remarkable agreement between these results emphasizes the fact that in NH QM, unlike standard QM, there is no need to split the entire space into two regions, i.e., the interaction region and its surrounding. Our results open a door for a type of WP propagation calculations within the NH QM formalism that until now were impossible. In particular our work is relevant to the many different fields in physics and chemistry where complex absorbing potentials are introduced in order to reduce the propagation calculations to a restricted region in space where the artificial reflections from the edge of the numerical grid or box are avoided.
Methods for obtaining exact and approximate solutions of the evolution of quantum-mechanical problems are discussed. The cyclic evolution of quantum systems described by time-periodic Hamiltonians is analyzed. A class of time-periodic Hamiltonians is constructed in the close analytical form. The corresponding cyclic solutions are calculated. Time-dependent Hamiltonians are generated whose expectation values calculated with cyclic solutions are time independent. It is shown that the expectation values of the spin projection calculated with the same cyclic solutions, as well as the probability density of finding a particle at a given space-time point, are also time independent. Therefore, the approach can be used to simulate quantum dynamic potential wells with the particle localization effect. Nonadiabatic geometric phases are expressed in terms of the cyclic solutions. Exactly solvable time-dependent problems are used to construct a universal set of gates for quantum computers. A method for obtaining entanglement operators is discussed.