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The Journal of Chemical Physics

Multidimensional harmonic oscillator matrix elements

Francisco Marcelo Fernández, Richard H. Tipping

Published Nov 1, 1989• 6 citations
Publisher

Abstract

Multidimensional harmonic oscillator matrix elements of arbitrary products of exponentials for operators containing only linear and quadratic terms in the creation and annihilation operators are obtained. A simple and straightforward method is presented that leads to recurrence relations and generating functions for such matrix elements. Results are shown to be general enough to cover the cases of Franck–Condon overlaps, transition probabilities for time-dependent harmonic oscillators, and correlation functions for electronic spectra.

DOI
10.1063/1.457553

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Multidimensional harmonic oscillator matrix elements of arbitrary products of exponentials for operators containing only linear and quadratic terms in the creation and annihilation operators are obtained. A simple and straightforward method is presented that leads to recurrence relations and generating functions for such matrix elements. Results are shown to be general enough to cover the cases of Franck–Condon overlaps, transition probabilities for time-dependent harmonic oscillators, and correlation functions for electronic spectra.
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The non-Hermitian quadratic Hamiltonian H=ωa†a+αa2+βa†2 is analyzed, where a† and a are harmonic oscillator creation and annihilation operators and ω, α, and β are real constants. For the case that ω2−4αβ⩾0, it is shown using operator techniques that the Hamiltonian possesses real and positive eigenvalues. A generalized Bogoliubov transformation allows the energy eigenstates to be constructed from the algebra and states of the harmonic oscillator. The eigenstates are shown to possess an imaginary norm for a large range of the parameter space. Finding the orthonormal dual space allows the inner product to be redefined using the complexification procedure of Bender et al. for non-Hermitian Hamiltonians. Transition probabilities governed by H are shown to be manifestly unitary when the complexification procedure is followed. A specific transition element between harmonic oscillator states is evaluated for both the Hermitian and non-Hermitian cases to identify the differences in time evolution.
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