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首页> 外文期刊>Journal of mathematical chemistry >Ground and excited states of spherically symmetric potentials through an imaginary-time evolution method: application to spiked harmonic oscillators
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Ground and excited states of spherically symmetric potentials through an imaginary-time evolution method: application to spiked harmonic oscillators

机译:Ground and excited states of spherically symmetric potentials through an imaginary-time evolution method: application to spiked harmonic oscillators

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摘要

Starting from a time-dependent Schr?dinger equation, stationary states of 3D central potentials are obtained. An imaginary-time evolution technique coupled with the minimization of energy expectation value, subject to the orthogonality constraint leads to ground and excited states. The desired diffusion equation is solved by means of a finite-difference approach to produce accurate wave functions, energies, probability densities and other expectation values. Applications in case of 3D isotropic harmonic oscillator, Morse as well the spiked harmonic oscillator are made. Comparison with literature data reveals that this is able to produce high-quality and competitive results. The method could be useful for this and other similar potentials of interest in quantum mechanics. Future and outlook of the method is briefly discussed.

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